4-[2-(aminomethyl)phenyl]-1-(1-phenylhexyl)piperidin-4-ol

C24H34N2O — CID 23383564

IUPAC4-[2-(aminomethyl)phenyl]-1-(1-phenylhexyl)piperidin-4-ol
SMILESCCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1
InChIInChI=1S/C24H34N2O/c1-2-3-5-14-23(20-10-6-4-7-11-20)26-17-15-24(27,16-18-26)22-13-9-8-12-21(22)19-25/h4,6-13,23,27H,2-3,5,14-19,25H2,1H3
InChIKeyISMQETOPKPOUMN-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.75
Rot. Bonds8

About 4-[2-(aminomethyl)phenyl]-1-(1-phenylhexyl)piperidin-4-ol

4-[2-(aminomethyl)phenyl]-1-(1-phenylhexyl)piperidin-4-ol (PubChem CID 23383564) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 4-[2-(aminomethyl)phenyl]-1-(1-phenylhexyl)piperidin-4-ol.

Molecular Properties

Compound Name4-[2-(aminomethyl)phenyl]-1-(1-phenylhexyl)piperidin-4-ol
PubChem CID23383564
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name4-[2-(aminomethyl)phenyl]-1-(1-phenylhexyl)piperidin-4-ol
SMILESCCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1
InChIInChI=1S/C24H34N2O/c1-2-3-5-14-23(20-10-6-4-7-11-20)26-17-15-24(27,16-18-26)22-13-9-8-12-21(22)19-25/h4,6-13,23,27H,2-3,5,14-19,25H2,1H3
InChIKeyISMQETOPKPOUMN-UHFFFAOYSA-N
XLogP4.75
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)phenyl]-1-(1-phenylhexyl)piperidin-4-ol?
The IUPAC name of 4-[2-(aminomethyl)phenyl]-1-(1-phenylhexyl)piperidin-4-ol (CID 23383564) is 4-[2-(aminomethyl)phenyl]-1-(1-phenylhexyl)piperidin-4-ol.
What is the SMILES notation for 4-[2-(aminomethyl)phenyl]-1-(1-phenylhexyl)piperidin-4-ol?
The canonical SMILES for 4-[2-(aminomethyl)phenyl]-1-(1-phenylhexyl)piperidin-4-ol is CCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1.
What is the InChIKey of 4-[2-(aminomethyl)phenyl]-1-(1-phenylhexyl)piperidin-4-ol?
The InChIKey is ISMQETOPKPOUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-2-3-5-14-23(20-10-6-4-7-11-20)26-17-15-24(27,16-18-26)22-13-9-8-12-21(22)19-25/h4,6-13,23,27H,2-3,5,14-19,25H2,1H3.
What are the key properties of 4-[2-(aminomethyl)phenyl]-1-(1-phenylhexyl)piperidin-4-ol?
4-[2-(aminomethyl)phenyl]-1-(1-phenylhexyl)piperidin-4-ol has a molecular weight of 366.55 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)phenyl]-1-(1-phenylhexyl)piperidin-4-ol is sourced from PubChem (CID 23383564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).