[1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-yl]methanol

C17H34N2O — CID 62278536

IUPAC[1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-yl]methanol
SMILESCCCNCC1(CN2CCC(CO)CC2)CCCCC1
InChIInChI=1S/C17H34N2O/c1-2-10-18-14-17(8-4-3-5-9-17)15-19-11-6-16(13-20)7-12-19/h16,18,20H,2-15H2,1H3
InChIKeyKRUNEPFGKAXBJA-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.64
Rot. Bonds7

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

[1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-yl]methanol (PubChem CID 62278536) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is [1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-yl]methanol
PubChem CID62278536
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name[1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-yl]methanol
SMILESCCCNCC1(CN2CCC(CO)CC2)CCCCC1
InChIInChI=1S/C17H34N2O/c1-2-10-18-14-17(8-4-3-5-9-17)15-19-11-6-16(13-20)7-12-19/h16,18,20H,2-15H2,1H3
InChIKeyKRUNEPFGKAXBJA-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.64
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-yl]methanol?
The IUPAC name of [1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-yl]methanol (CID 62278536) is [1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-yl]methanol is CCCNCC1(CN2CCC(CO)CC2)CCCCC1.
What is the InChIKey of [1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-yl]methanol?
The InChIKey is KRUNEPFGKAXBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-2-10-18-14-17(8-4-3-5-9-17)15-19-11-6-16(13-20)7-12-19/h16,18,20H,2-15H2,1H3.
What are the key properties of [1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-yl]methanol?
[1-[[1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-yl]methanol has a molecular weight of 282.47 g/mol, XLogP of 2.64, 7 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-yl]methanol is sourced from PubChem (CID 62278536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).