[1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol

C17H26N2O — CID 79478336

IUPAC[1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C17H26N2O/c20-14-17(8-9-17)13-18-12-15-4-6-16(7-5-15)19-10-2-1-3-11-19/h4-7,18,20H,1-3,8-14H2
InChIKeyFLBXQWSRYOMDFL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.54
Rot. Bonds6

About [1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol

[1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 79478336) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
PubChem CID79478336
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C17H26N2O/c20-14-17(8-9-17)13-18-12-15-4-6-16(7-5-15)19-10-2-1-3-11-19/h4-7,18,20H,1-3,8-14H2
InChIKeyFLBXQWSRYOMDFL-UHFFFAOYSA-N
XLogP2.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
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

1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866735
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
N-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine
CID 55684281
[1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478327
[1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479608
[1-[[(4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293545
[1-[[(4-cyclopropylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965842
2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]prop-2-en-1-amine
CID 115614908
N-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine
CID 78957539
N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine
CID 43755382
N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide
CID 79478656
2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
CID 55378279

Frequently Asked Questions

What is the IUPAC name of [1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol (CID 79478336) is [1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol is OCC1(CNCc2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of [1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is FLBXQWSRYOMDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c20-14-17(8-9-17)13-18-12-15-4-6-16(7-5-15)19-10-2-1-3-11-19/h4-7,18,20H,1-3,8-14H2.
What are the key properties of [1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 274.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 79478336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).