[1-[4-(4-methylphenyl)butyl]piperidin-4-yl]methanol

C17H27NO — CID 45485499

IUPAC[1-[4-(4-methylphenyl)butyl]piperidin-4-yl]methanol
SMILESCc1ccc(CCCCN2CCC(CO)CC2)cc1
InChIInChI=1S/C17H27NO/c1-15-5-7-16(8-6-15)4-2-3-11-18-12-9-17(14-19)10-13-18/h5-8,17,19H,2-4,9-14H2,1H3
InChIKeyVTDHRHRPPVJGSU-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.02
Rot. Bonds6

About [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]methanol

[1-[4-(4-methylphenyl)butyl]piperidin-4-yl]methanol (PubChem CID 45485499) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(4-methylphenyl)butyl]piperidin-4-yl]methanol
PubChem CID45485499
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-[4-(4-methylphenyl)butyl]piperidin-4-yl]methanol
SMILESCc1ccc(CCCCN2CCC(CO)CC2)cc1
InChIInChI=1S/C17H27NO/c1-15-5-7-16(8-6-15)4-2-3-11-18-12-9-17(14-19)10-13-18/h5-8,17,19H,2-4,9-14H2,1H3
InChIKeyVTDHRHRPPVJGSU-UHFFFAOYSA-N
XLogP3.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine
CID 86175375
[(3S)-1-(4-phenylbutyl)pyrrolidin-3-yl]methanol
CID 129380566
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 54878914
N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine
CID 114333870
6-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-ol
CID 103737785
[1-(4-phenylbutyl)piperidin-4-yl]methanamine
CID 69419059
(Z)-N-[4-[4-(4-methylphenyl)butyl]piperazin-1-yl]ethanimine
CID 70951124
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol
CID 111434356
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 112628840
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]methanol (CID 45485499) is [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]methanol is Cc1ccc(CCCCN2CCC(CO)CC2)cc1.
What is the InChIKey of [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]methanol?
The InChIKey is VTDHRHRPPVJGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-15-5-7-16(8-6-15)4-2-3-11-18-12-9-17(14-19)10-13-18/h5-8,17,19H,2-4,9-14H2,1H3.
What are the key properties of [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]methanol?
[1-[4-(4-methylphenyl)butyl]piperidin-4-yl]methanol has a molecular weight of 261.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]methanol is sourced from PubChem (CID 45485499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).