1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol

C16H32N2O — CID 55051460

IUPAC1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol
SMILESCCCNCC1(CN2CCC(O)CC2)CCCCC1
InChIInChI=1S/C16H32N2O/c1-2-10-17-13-16(8-4-3-5-9-16)14-18-11-6-15(19)7-12-18/h15,17,19H,2-14H2,1H3
InChIKeyXZOKJUICNCVVLQ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.39
Rot. Bonds6

About 1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol

1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol (PubChem CID 55051460) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol
PubChem CID55051460
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol
SMILESCCCNCC1(CN2CCC(O)CC2)CCCCC1
InChIInChI=1S/C16H32N2O/c1-2-10-17-13-16(8-4-3-5-9-16)14-18-11-6-15(19)7-12-18/h15,17,19H,2-14H2,1H3
InChIKeyXZOKJUICNCVVLQ-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.39
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-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol (CID 55051460) is 1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol is CCCNCC1(CN2CCC(O)CC2)CCCCC1.
What is the InChIKey of 1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol?
The InChIKey is XZOKJUICNCVVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-2-10-17-13-16(8-4-3-5-9-16)14-18-11-6-15(19)7-12-18/h15,17,19H,2-14H2,1H3.
What are the key properties of 1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol?
1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol has a molecular weight of 268.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol is sourced from PubChem (CID 55051460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).