[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol

C15H22N2O — CID 61445571

IUPAC[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol
SMILESOCc1ccc(N2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C15H22N2O/c18-12-14-3-5-15(6-4-14)17-9-7-16(8-10-17)11-13-1-2-13/h3-6,13,18H,1-2,7-12H2
InChIKeyGCEBCGRDSQQGEY-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.71
Rot. Bonds4

About [4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol

[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol (PubChem CID 61445571) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol
PubChem CID61445571
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol
SMILESOCc1ccc(N2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C15H22N2O/c18-12-14-3-5-15(6-4-14)17-9-7-16(8-10-17)11-13-1-2-13/h3-6,13,18H,1-2,7-12H2
InChIKeyGCEBCGRDSQQGEY-UHFFFAOYSA-N
XLogP1.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-(4-aminopiperidin-1-yl)phenyl]methanol
CID 124707256
4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 60849989
N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-5-methylpyrimidin-2-amine
CID 133422695
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]acetic acid
CID 72895457
(4-morpholin-4-ylphenyl)methanol
CID 2776456
(4-thiomorpholin-4-ylphenyl)methanol
CID 20684072
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]cyclohexan-1-ol;bis(2,2,2-trifluoroacetic acid)
CID 154924391
1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride
CID 119932561
5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline
CID 62911812
[4-(4-methylazepan-1-yl)phenyl]methanol
CID 63622804
3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline
CID 61344824
N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133422697

Frequently Asked Questions

What is the IUPAC name of [4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol?
The IUPAC name of [4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol (CID 61445571) is [4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol.
What is the SMILES notation for [4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol?
The canonical SMILES for [4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol is OCc1ccc(N2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of [4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol?
The InChIKey is GCEBCGRDSQQGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-12-14-3-5-15(6-4-14)17-9-7-16(8-10-17)11-13-1-2-13/h3-6,13,18H,1-2,7-12H2.
What are the key properties of [4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol?
[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol has a molecular weight of 246.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol is sourced from PubChem (CID 61445571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).