N-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-N-piperidin-1-ylpiperidin-1-amine

C26H33N3 — CID 102113169

IUPACN-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-N-piperidin-1-ylpiperidin-1-amine
SMILESCc1ccc(C(C#Cc2ccccc2)N(N2CCCCC2)N2CCCCC2)cc1
InChIInChI=1S/C26H33N3/c1-23-13-16-25(17-14-23)26(18-15-24-11-5-2-6-12-24)29(27-19-7-3-8-20-27)28-21-9-4-10-22-28/h2,5-6,11-14,16-17,26H,3-4,7-10,19-22H2,1H3
InChIKeyDOGGJJUUCVDTLL-UHFFFAOYSA-N
MW387.57 g/mol
LogP5.19
Rot. Bonds4

About N-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-N-piperidin-1-ylpiperidin-1-amine

N-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-N-piperidin-1-ylpiperidin-1-amine (PubChem CID 102113169) has the molecular formula C26H33N3 and a molecular weight of 387.57 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-N-piperidin-1-ylpiperidin-1-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-N-piperidin-1-ylpiperidin-1-amine
PubChem CID102113169
Molecular FormulaC26H33N3
Molecular Weight387.57 g/mol
Exact Mass387.27
IUPAC NameN-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-N-piperidin-1-ylpiperidin-1-amine
SMILESCc1ccc(C(C#Cc2ccccc2)N(N2CCCCC2)N2CCCCC2)cc1
InChIInChI=1S/C26H33N3/c1-23-13-16-25(17-14-23)26(18-15-24-11-5-2-6-12-24)29(27-19-7-3-8-20-27)28-21-9-4-10-22-28/h2,5-6,11-14,16-17,26H,3-4,7-10,19-22H2,1H3
InChIKeyDOGGJJUUCVDTLL-UHFFFAOYSA-N
XLogP5.19
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.57
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(4-phenylbut-3-yn-2-yl)benzene
CID 102286011
1-[1,5-bis(4-methylphenyl)penta-1,4-diyn-3-yl]piperidine
CID 46855245
1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine
CID 101346242
1-[3-phenyl-1-(4-propan-2-ylphenyl)prop-2-ynyl]pyrrolidine
CID 142730752
1-[[4-(2-phenylethynyl)phenyl]-piperidin-1-ylmethyl]piperidine
CID 71395677
[1-(4-methylphenyl)-3-phenylprop-2-ynyl] carbamate
CID 175039383
1-(4-methyl-1-phenylpent-1-yn-3-yl)pyrrolidine
CID 3360864
ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
9-methyl-3,6-bis[1-(4-methylphenyl)-3-phenylprop-2-ynyl]carbazole
CID 102430010
(2R,3S)-3-hydroxy-5-(4-methylphenyl)-2-phenylpent-4-ynoic acid
CID 134845759
1-(1,4-diphenylbut-3-yn-2-yl)pyrrolidine
CID 100954727
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-N-piperidin-1-ylpiperidin-1-amine?
The IUPAC name of N-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-N-piperidin-1-ylpiperidin-1-amine (CID 102113169) is N-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-N-piperidin-1-ylpiperidin-1-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-N-piperidin-1-ylpiperidin-1-amine?
The canonical SMILES for N-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-N-piperidin-1-ylpiperidin-1-amine is Cc1ccc(C(C#Cc2ccccc2)N(N2CCCCC2)N2CCCCC2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-N-piperidin-1-ylpiperidin-1-amine?
The InChIKey is DOGGJJUUCVDTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3/c1-23-13-16-25(17-14-23)26(18-15-24-11-5-2-6-12-24)29(27-19-7-3-8-20-27)28-21-9-4-10-22-28/h2,5-6,11-14,16-17,26H,3-4,7-10,19-22H2,1H3.
What are the key properties of N-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-N-piperidin-1-ylpiperidin-1-amine?
N-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-N-piperidin-1-ylpiperidin-1-amine has a molecular weight of 387.57 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-N-piperidin-1-ylpiperidin-1-amine is sourced from PubChem (CID 102113169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).