4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-methylpiperidin-4-ol

C16H32N2O — CID 79135205

IUPAC4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-methylpiperidin-4-ol
SMILESCC(C)C1CCC(CN)(C2(O)CCN(C)CC2)CC1
InChIInChI=1S/C16H32N2O/c1-13(2)14-4-6-15(12-17,7-5-14)16(19)8-10-18(3)11-9-16/h13-14,19H,4-12,17H2,1-3H3
InChIKeyQNUQMHGAOPJKSF-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.23
Rot. Bonds3

About 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-methylpiperidin-4-ol

4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-methylpiperidin-4-ol (PubChem CID 79135205) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-methylpiperidin-4-ol
PubChem CID79135205
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-methylpiperidin-4-ol
SMILESCC(C)C1CCC(CN)(C2(O)CCN(C)CC2)CC1
InChIInChI=1S/C16H32N2O/c1-13(2)14-4-6-15(12-17,7-5-14)16(19)8-10-18(3)11-9-16/h13-14,19H,4-12,17H2,1-3H3
InChIKeyQNUQMHGAOPJKSF-UHFFFAOYSA-N
XLogP2.23
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-methylpiperidin-4-ol (CID 79135205) is 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-methylpiperidin-4-ol is CC(C)C1CCC(CN)(C2(O)CCN(C)CC2)CC1.
What is the InChIKey of 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-methylpiperidin-4-ol?
The InChIKey is QNUQMHGAOPJKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)14-4-6-15(12-17,7-5-14)16(19)8-10-18(3)11-9-16/h13-14,19H,4-12,17H2,1-3H3.
What are the key properties of 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-methylpiperidin-4-ol?
4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-methylpiperidin-4-ol has a molecular weight of 268.44 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 79135205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).