6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine

C29H45NO — CID 23016534

IUPAC6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine
SMILESOCCCCCCc1ccccc1.c1ccc(CCCCCCN2CCCCC2)cc1
InChIInChI=1S/C17H27N.C12H18O/c1(5-11-17-12-6-3-7-13-17)2-8-14-18-15-9-4-10-16-18;13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,6-7,12-13H,1-2,4-5,8-11,14-16H2;3,5-6,9-10,13H,1-2,4,7-8,11H2
InChIKeyVZWMORCGKQRZOB-UHFFFAOYSA-N
MW423.69 g/mol
LogP7.06
Rot. Bonds13

About 6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine

6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine (PubChem CID 23016534) has the molecular formula C29H45NO and a molecular weight of 423.69 g/mol. Its IUPAC name is 6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine.

Molecular Properties

Compound Name6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine
PubChem CID23016534
Molecular FormulaC29H45NO
Molecular Weight423.69 g/mol
Exact Mass423.35
IUPAC Name6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine
SMILESOCCCCCCc1ccccc1.c1ccc(CCCCCCN2CCCCC2)cc1
InChIInChI=1S/C17H27N.C12H18O/c1(5-11-17-12-6-3-7-13-17)2-8-14-18-15-9-4-10-16-18;13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,6-7,12-13H,1-2,4-5,8-11,14-16H2;3,5-6,9-10,13H,1-2,4,7-8,11H2
InChIKeyVZWMORCGKQRZOB-UHFFFAOYSA-N
XLogP7.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.69
LogP ≤ 57.06
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

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3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
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5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one
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1-[6-(4-methoxyphenyl)hexyl]piperidine
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Frequently Asked Questions

What is the IUPAC name of 6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine?
The IUPAC name of 6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine (CID 23016534) is 6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine.
What is the SMILES notation for 6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine?
The canonical SMILES for 6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine is OCCCCCCc1ccccc1.c1ccc(CCCCCCN2CCCCC2)cc1.
What is the InChIKey of 6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine?
The InChIKey is VZWMORCGKQRZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.C12H18O/c1(5-11-17-12-6-3-7-13-17)2-8-14-18-15-9-4-10-16-18;13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,6-7,12-13H,1-2,4-5,8-11,14-16H2;3,5-6,9-10,13H,1-2,4,7-8,11H2.
What are the key properties of 6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine?
6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine has a molecular weight of 423.69 g/mol, XLogP of 7.06, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine is sourced from PubChem (CID 23016534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).