1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]decan-2-ol

C22H38N2O — CID 57186486

IUPAC1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]decan-2-ol
SMILESCCCCCCCCC(O)CN1CCC(CN)(c2ccccc2)CC1
InChIInChI=1S/C22H38N2O/c1-2-3-4-5-6-10-13-21(25)18-24-16-14-22(19-23,15-17-24)20-11-8-7-9-12-20/h7-9,11-12,21,25H,2-6,10,13-19,23H2,1H3
InChIKeyBXSPQWNCYYQQEU-UHFFFAOYSA-N
MW346.56 g/mol
LogP4.09
Rot. Bonds11

About 1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]decan-2-ol

1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]decan-2-ol (PubChem CID 57186486) has the molecular formula C22H38N2O and a molecular weight of 346.56 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]decan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]decan-2-ol
PubChem CID57186486
Molecular FormulaC22H38N2O
Molecular Weight346.56 g/mol
Exact Mass346.30
IUPAC Name1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]decan-2-ol
SMILESCCCCCCCCC(O)CN1CCC(CN)(c2ccccc2)CC1
InChIInChI=1S/C22H38N2O/c1-2-3-4-5-6-10-13-21(25)18-24-16-14-22(19-23,15-17-24)20-11-8-7-9-12-20/h7-9,11-12,21,25H,2-6,10,13-19,23H2,1H3
InChIKeyBXSPQWNCYYQQEU-UHFFFAOYSA-N
XLogP4.09
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 54.09
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 1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]decan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]decan-2-ol (CID 57186486) is 1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]decan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]decan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]decan-2-ol is CCCCCCCCC(O)CN1CCC(CN)(c2ccccc2)CC1.
What is the InChIKey of 1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]decan-2-ol?
The InChIKey is BXSPQWNCYYQQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O/c1-2-3-4-5-6-10-13-21(25)18-24-16-14-22(19-23,15-17-24)20-11-8-7-9-12-20/h7-9,11-12,21,25H,2-6,10,13-19,23H2,1H3.
What are the key properties of 1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]decan-2-ol?
1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]decan-2-ol has a molecular weight of 346.56 g/mol, XLogP of 4.09, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]decan-2-ol is sourced from PubChem (CID 57186486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).