4-benzhydrylpiperazine-1-carbaldehyde;4-(1,3-benzodioxol-5-yl)piperazine-1-carbaldehyde;4-benzylpiperazine-1-carbaldehyde;4-(2-hydroxyethyl)piperazine-1-carbaldehyde;4-methylpiperazine-1-carbaldehyde;4-pyridin-2-ylpiperazine-1-carbaldehyde;4-pyridin-4-ylpiperazine-1-carbaldehyde

C75H102N16O10 — CID 158866470

IUPAC4-benzhydrylpiperazine-1-carbaldehyde;4-(1,3-benzodioxol-5-yl)piperazine-1-carbaldehyde;4-benzylpiperazine-1-carbaldehyde;4-(2-hydroxyethyl)piperazine-1-carbaldehyde;4-methylpiperazine-1-carbaldehyde;4-pyridin-2-ylpiperazine-1-carbaldehyde;4-pyridin-4-ylpiperazine-1-carbaldehyde
SMILESCN1CCN(C=O)CC1.O=CN1CCN(C(c2ccccc2)c2ccccc2)CC1.O=CN1CCN(CCO)CC1.O=CN1CCN(Cc2ccccc2)CC1.O=CN1CCN(c2ccc3c(c2)OCO3)CC1.O=CN1CCN(c2ccccn2)CC1.O=CN1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H20N2O.C12H14N2O3.C12H16N2O.2C10H13N3O.C7H14N2O2.C6H12N2O/c21-15-19-11-13-20(14-12-19)18(16-7-3-1-4-8-16)17-9-5-2-6-10-17;15-8-13-3-5-14(6-4-13)10-1-2-11-12(7-10)17-9-16-11;15-11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12;14-9-12-5-7-13(8-6-12)10-1-3-11-4-2-10;14-9-12-5-7-13(8-6-12)10-3-1-2-4-11-10;10-6-5-8-1-3-9(7-11)4-2-8;1-7-2-4-8(6-9)5-3-7/h1-10,15,18H,11-14H2;1-2,7-8H,3-6,9H2;1-5,11H,6-10H2;2*1-4,9H,5-8H2;7,10H,1-6H2;6H,2-5H2,1H3
InChIKeyJBHHZZHKXLMENU-UHFFFAOYSA-N
MW1387.74 g/mol
LogP3.07
Rot. Bonds17

About 4-benzhydrylpiperazine-1-carbaldehyde;4-(1,3-benzodioxol-5-yl)piperazine-1-carbaldehyde;4-benzylpiperazine-1-carbaldehyde;4-(2-hydroxyethyl)piperazine-1-carbaldehyde;4-methylpiperazine-1-carbaldehyde;4-pyridin-2-ylpiperazine-1-carbaldehyde;4-pyridin-4-ylpiperazine-1-carbaldehyde

4-benzhydrylpiperazine-1-carbaldehyde;4-(1,3-benzodioxol-5-yl)piperazine-1-carbaldehyde;4-benzylpiperazine-1-carbaldehyde;4-(2-hydroxyethyl)piperazine-1-carbaldehyde;4-methylpiperazine-1-carbaldehyde;4-pyridin-2-ylpiperazine-1-carbaldehyde;4-pyridin-4-ylpiperazine-1-carbaldehyde (PubChem CID 158866470) has the molecular formula C75H102N16O10 and a molecular weight of 1387.74 g/mol. Its IUPAC name is 4-benzhydrylpiperazine-1-carbaldehyde;4-(1,3-benzodioxol-5-yl)piperazine-1-carbaldehyde;4-benzylpiperazine-1-carbaldehyde;4-(2-hydroxyethyl)piperazine-1-carbaldehyde;4-methylpiperazine-1-carbaldehyde;4-pyridin-2-ylpiperazine-1-carbaldehyde;4-pyridin-4-ylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-benzhydrylpiperazine-1-carbaldehyde;4-(1,3-benzodioxol-5-yl)piperazine-1-carbaldehyde;4-benzylpiperazine-1-carbaldehyde;4-(2-hydroxyethyl)piperazine-1-carbaldehyde;4-methylpiperazine-1-carbaldehyde;4-pyridin-2-ylpiperazine-1-carbaldehyde;4-pyridin-4-ylpiperazine-1-carbaldehyde
PubChem CID158866470
Molecular FormulaC75H102N16O10
Molecular Weight1387.74 g/mol
Exact Mass1386.80
IUPAC Name4-benzhydrylpiperazine-1-carbaldehyde;4-(1,3-benzodioxol-5-yl)piperazine-1-carbaldehyde;4-benzylpiperazine-1-carbaldehyde;4-(2-hydroxyethyl)piperazine-1-carbaldehyde;4-methylpiperazine-1-carbaldehyde;4-pyridin-2-ylpiperazine-1-carbaldehyde;4-pyridin-4-ylpiperazine-1-carbaldehyde
SMILESCN1CCN(C=O)CC1.O=CN1CCN(C(c2ccccc2)c2ccccc2)CC1.O=CN1CCN(CCO)CC1.O=CN1CCN(Cc2ccccc2)CC1.O=CN1CCN(c2ccc3c(c2)OCO3)CC1.O=CN1CCN(c2ccccn2)CC1.O=CN1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H20N2O.C12H14N2O3.C12H16N2O.2C10H13N3O.C7H14N2O2.C6H12N2O/c21-15-19-11-13-20(14-12-19)18(16-7-3-1-4-8-16)17-9-5-2-6-10-17;15-8-13-3-5-14(6-4-13)10-1-2-11-12(7-10)17-9-16-11;15-11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12;14-9-12-5-7-13(8-6-12)10-1-3-11-4-2-10;14-9-12-5-7-13(8-6-12)10-3-1-2-4-11-10;10-6-5-8-1-3-9(7-11)4-2-8;1-7-2-4-8(6-9)5-3-7/h1-10,15,18H,11-14H2;1-2,7-8H,3-6,9H2;1-5,11H,6-10H2;2*1-4,9H,5-8H2;7,10H,1-6H2;6H,2-5H2,1H3
InChIKeyJBHHZZHKXLMENU-UHFFFAOYSA-N
XLogP3.07
TPSA229.32 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001387.74
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-benzhydrylpiperazine-1-carbaldehyde;4-(1,3-benzodioxol-5-yl)piperazine-1-carbaldehyde;4-benzylpiperazine-1-carbaldehyde;4-(2-hydroxyethyl)piperazine-1-carbaldehyde;4-methylpiperazine-1-carbaldehyde;4-pyridin-2-ylpiperazine-1-carbaldehyde;4-pyridin-4-ylpiperazine-1-carbaldehyde with MolForge

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Related Compounds

2-(1,3-benzodioxol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
CID 72853099
1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine;1-(4-chlorophenyl)-4-methylpiperazine;tetrakis(1,4-dimethylpiperazine);1-ethyl-4-methylpiperazine;1-(4-fluorophenyl)-4-methylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-naphthalen-2-ylpiperazine;1-methylpiperazine;4-methylpiperazine-1-carbaldehyde;1-(4-methylpiperazin-1-yl)ethanone;2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanol;4-(4-methylpiperazin-1-yl)phenol;2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-pyridin-2-ylpiperazine
CID 160935466
N-(1,3-benzodioxol-5-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 13210213
1-benzyl-4-pyridin-4-ylpiperazine;N-methylformamide
CID 18357040
cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate
CID 139076164
N'-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 92680998
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8924523
1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327
N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine
CID 142679452
2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 171701163
1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one
CID 54729077
N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 174676265

Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylpiperazine-1-carbaldehyde;4-(1,3-benzodioxol-5-yl)piperazine-1-carbaldehyde;4-benzylpiperazine-1-carbaldehyde;4-(2-hydroxyethyl)piperazine-1-carbaldehyde;4-methylpiperazine-1-carbaldehyde;4-pyridin-2-ylpiperazine-1-carbaldehyde;4-pyridin-4-ylpiperazine-1-carbaldehyde?
The IUPAC name of 4-benzhydrylpiperazine-1-carbaldehyde;4-(1,3-benzodioxol-5-yl)piperazine-1-carbaldehyde;4-benzylpiperazine-1-carbaldehyde;4-(2-hydroxyethyl)piperazine-1-carbaldehyde;4-methylpiperazine-1-carbaldehyde;4-pyridin-2-ylpiperazine-1-carbaldehyde;4-pyridin-4-ylpiperazine-1-carbaldehyde (CID 158866470) is 4-benzhydrylpiperazine-1-carbaldehyde;4-(1,3-benzodioxol-5-yl)piperazine-1-carbaldehyde;4-benzylpiperazine-1-carbaldehyde;4-(2-hydroxyethyl)piperazine-1-carbaldehyde;4-methylpiperazine-1-carbaldehyde;4-pyridin-2-ylpiperazine-1-carbaldehyde;4-pyridin-4-ylpiperazine-1-carbaldehyde.
What is the SMILES notation for 4-benzhydrylpiperazine-1-carbaldehyde;4-(1,3-benzodioxol-5-yl)piperazine-1-carbaldehyde;4-benzylpiperazine-1-carbaldehyde;4-(2-hydroxyethyl)piperazine-1-carbaldehyde;4-methylpiperazine-1-carbaldehyde;4-pyridin-2-ylpiperazine-1-carbaldehyde;4-pyridin-4-ylpiperazine-1-carbaldehyde?
The canonical SMILES for 4-benzhydrylpiperazine-1-carbaldehyde;4-(1,3-benzodioxol-5-yl)piperazine-1-carbaldehyde;4-benzylpiperazine-1-carbaldehyde;4-(2-hydroxyethyl)piperazine-1-carbaldehyde;4-methylpiperazine-1-carbaldehyde;4-pyridin-2-ylpiperazine-1-carbaldehyde;4-pyridin-4-ylpiperazine-1-carbaldehyde is CN1CCN(C=O)CC1.O=CN1CCN(C(c2ccccc2)c2ccccc2)CC1.O=CN1CCN(CCO)CC1.O=CN1CCN(Cc2ccccc2)CC1.O=CN1CCN(c2ccc3c(c2)OCO3)CC1.O=CN1CCN(c2ccccn2)CC1.O=CN1CCN(c2ccncc2)CC1.
What is the InChIKey of 4-benzhydrylpiperazine-1-carbaldehyde;4-(1,3-benzodioxol-5-yl)piperazine-1-carbaldehyde;4-benzylpiperazine-1-carbaldehyde;4-(2-hydroxyethyl)piperazine-1-carbaldehyde;4-methylpiperazine-1-carbaldehyde;4-pyridin-2-ylpiperazine-1-carbaldehyde;4-pyridin-4-ylpiperazine-1-carbaldehyde?
The InChIKey is JBHHZZHKXLMENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.C12H14N2O3.C12H16N2O.2C10H13N3O.C7H14N2O2.C6H12N2O/c21-15-19-11-13-20(14-12-19)18(16-7-3-1-4-8-16)17-9-5-2-6-10-17;15-8-13-3-5-14(6-4-13)10-1-2-11-12(7-10)17-9-16-11;15-11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12;14-9-12-5-7-13(8-6-12)10-1-3-11-4-2-10;14-9-12-5-7-13(8-6-12)10-3-1-2-4-11-10;10-6-5-8-1-3-9(7-11)4-2-8;1-7-2-4-8(6-9)5-3-7/h1-10,15,18H,11-14H2;1-2,7-8H,3-6,9H2;1-5,11H,6-10H2;2*1-4,9H,5-8H2;7,10H,1-6H2;6H,2-5H2,1H3.
What are the key properties of 4-benzhydrylpiperazine-1-carbaldehyde;4-(1,3-benzodioxol-5-yl)piperazine-1-carbaldehyde;4-benzylpiperazine-1-carbaldehyde;4-(2-hydroxyethyl)piperazine-1-carbaldehyde;4-methylpiperazine-1-carbaldehyde;4-pyridin-2-ylpiperazine-1-carbaldehyde;4-pyridin-4-ylpiperazine-1-carbaldehyde?
4-benzhydrylpiperazine-1-carbaldehyde;4-(1,3-benzodioxol-5-yl)piperazine-1-carbaldehyde;4-benzylpiperazine-1-carbaldehyde;4-(2-hydroxyethyl)piperazine-1-carbaldehyde;4-methylpiperazine-1-carbaldehyde;4-pyridin-2-ylpiperazine-1-carbaldehyde;4-pyridin-4-ylpiperazine-1-carbaldehyde has a molecular weight of 1387.74 g/mol, XLogP of 3.07, 17 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylpiperazine-1-carbaldehyde;4-(1,3-benzodioxol-5-yl)piperazine-1-carbaldehyde;4-benzylpiperazine-1-carbaldehyde;4-(2-hydroxyethyl)piperazine-1-carbaldehyde;4-methylpiperazine-1-carbaldehyde;4-pyridin-2-ylpiperazine-1-carbaldehyde;4-pyridin-4-ylpiperazine-1-carbaldehyde is sourced from PubChem (CID 158866470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).