[1-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]piperidin-4-yl]methanol

C18H36N2O — CID 62278377

IUPAC[1-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]piperidin-4-yl]methanol
SMILESCC(C)CNCC1(CN2CCC(CO)CC2)CCCCC1
InChIInChI=1S/C18H36N2O/c1-16(2)12-19-14-18(8-4-3-5-9-18)15-20-10-6-17(13-21)7-11-20/h16-17,19,21H,3-15H2,1-2H3
InChIKeyVPUQEQPKNIMJPG-UHFFFAOYSA-N
MW296.50 g/mol
LogP2.89
Rot. Bonds7

About [1-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]piperidin-4-yl]methanol

[1-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]piperidin-4-yl]methanol (PubChem CID 62278377) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is [1-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]piperidin-4-yl]methanol
PubChem CID62278377
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name[1-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]piperidin-4-yl]methanol
SMILESCC(C)CNCC1(CN2CCC(CO)CC2)CCCCC1
InChIInChI=1S/C18H36N2O/c1-16(2)12-19-14-18(8-4-3-5-9-18)15-20-10-6-17(13-21)7-11-20/h16-17,19,21H,3-15H2,1-2H3
InChIKeyVPUQEQPKNIMJPG-UHFFFAOYSA-N
XLogP2.89
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]piperidin-4-yl]methanol (CID 62278377) is [1-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]piperidin-4-yl]methanol is CC(C)CNCC1(CN2CCC(CO)CC2)CCCCC1.
What is the InChIKey of [1-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]piperidin-4-yl]methanol?
The InChIKey is VPUQEQPKNIMJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-16(2)12-19-14-18(8-4-3-5-9-18)15-20-10-6-17(13-21)7-11-20/h16-17,19,21H,3-15H2,1-2H3.
What are the key properties of [1-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]piperidin-4-yl]methanol?
[1-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]piperidin-4-yl]methanol has a molecular weight of 296.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 62278377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).