4-benzhydrylpiperidine;hexan-1-ol

C24H35NO — CID 174445924

IUPAC4-benzhydrylpiperidine;hexan-1-ol
SMILESCCCCCCO.c1ccc(C(c2ccccc2)C2CCNCC2)cc1
InChIInChI=1S/C18H21N.C6H14O/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17;1-2-3-4-5-6-7/h1-10,17-19H,11-14H2;7H,2-6H2,1H3
InChIKeyFMXOPQJWQKZDNP-UHFFFAOYSA-N
MW353.55 g/mol
LogP5.38
Rot. Bonds7

About 4-benzhydrylpiperidine;hexan-1-ol

4-benzhydrylpiperidine;hexan-1-ol (PubChem CID 174445924) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is 4-benzhydrylpiperidine;hexan-1-ol.

Molecular Properties

Compound Name4-benzhydrylpiperidine;hexan-1-ol
PubChem CID174445924
Molecular FormulaC24H35NO
Molecular Weight353.55 g/mol
Exact Mass353.27
IUPAC Name4-benzhydrylpiperidine;hexan-1-ol
SMILESCCCCCCO.c1ccc(C(c2ccccc2)C2CCNCC2)cc1
InChIInChI=1S/C18H21N.C6H14O/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17;1-2-3-4-5-6-7/h1-10,17-19H,11-14H2;7H,2-6H2,1H3
InChIKeyFMXOPQJWQKZDNP-UHFFFAOYSA-N
XLogP5.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(S)-(4-fluorophenyl)-phenylmethyl]piperidine
CID 139510512
[4-[phenyl(piperidin-4-yl)methyl]phenyl]methanamine
CID 174413647
2-phenyl-2-piperidin-4-ylethanol
CID 67125295
4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 124514391
4-[[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine
CID 139510278
naphthalene;octan-1-ol
CID 90016891
octan-1-ol;1,2-xylene
CID 68579692
4-heptan-2-ylpiperidine
CID 143122379
benzoic acid;hexan-1-ol
CID 163447913
benzoic acid;hexan-1-ol
CID 175334621
cumene;4-methylpiperidine
CID 158684278
benzoic acid;tridecan-1-ol
CID 67710151

Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylpiperidine;hexan-1-ol?
The IUPAC name of 4-benzhydrylpiperidine;hexan-1-ol (CID 174445924) is 4-benzhydrylpiperidine;hexan-1-ol.
What is the SMILES notation for 4-benzhydrylpiperidine;hexan-1-ol?
The canonical SMILES for 4-benzhydrylpiperidine;hexan-1-ol is CCCCCCO.c1ccc(C(c2ccccc2)C2CCNCC2)cc1.
What is the InChIKey of 4-benzhydrylpiperidine;hexan-1-ol?
The InChIKey is FMXOPQJWQKZDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N.C6H14O/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17;1-2-3-4-5-6-7/h1-10,17-19H,11-14H2;7H,2-6H2,1H3.
What are the key properties of 4-benzhydrylpiperidine;hexan-1-ol?
4-benzhydrylpiperidine;hexan-1-ol has a molecular weight of 353.55 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylpiperidine;hexan-1-ol is sourced from PubChem (CID 174445924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).