[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol

C16H32N2O — CID 55105780

IUPAC[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol
SMILESCC(C)C1CCC(N)C(CN2CCC(CO)CC2)C1
InChIInChI=1S/C16H32N2O/c1-12(2)14-3-4-16(17)15(9-14)10-18-7-5-13(11-19)6-8-18/h12-16,19H,3-11,17H2,1-2H3
InChIKeyDQKJTWYEYXOVIT-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.09
Rot. Bonds4

About [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol

[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol (PubChem CID 55105780) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol
PubChem CID55105780
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol
SMILESCC(C)C1CCC(N)C(CN2CCC(CO)CC2)C1
InChIInChI=1S/C16H32N2O/c1-12(2)14-3-4-16(17)15(9-14)10-18-7-5-13(11-19)6-8-18/h12-16,19H,3-11,17H2,1-2H3
InChIKeyDQKJTWYEYXOVIT-UHFFFAOYSA-N
XLogP2.09
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol (CID 55105780) is [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol is CC(C)C1CCC(N)C(CN2CCC(CO)CC2)C1.
What is the InChIKey of [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol?
The InChIKey is DQKJTWYEYXOVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12(2)14-3-4-16(17)15(9-14)10-18-7-5-13(11-19)6-8-18/h12-16,19H,3-11,17H2,1-2H3.
What are the key properties of [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol?
[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol has a molecular weight of 268.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 55105780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).