1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol

C14H28N2O — CID 64736403

IUPAC1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol
SMILESCC1CC(C)C(CN2CCC(O)CC2)C(N)C1
InChIInChI=1S/C14H28N2O/c1-10-7-11(2)13(14(15)8-10)9-16-5-3-12(17)4-6-16/h10-14,17H,3-9,15H2,1-2H3
InChIKeyCTWNNRDWYCWYSH-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.45
Rot. Bonds2

About 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol

1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol (PubChem CID 64736403) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol
PubChem CID64736403
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol
SMILESCC1CC(C)C(CN2CCC(O)CC2)C(N)C1
InChIInChI=1S/C14H28N2O/c1-10-7-11(2)13(14(15)8-10)9-16-5-3-12(17)4-6-16/h10-14,17H,3-9,15H2,1-2H3
InChIKeyCTWNNRDWYCWYSH-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol (CID 64736403) is 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol is CC1CC(C)C(CN2CCC(O)CC2)C(N)C1.
What is the InChIKey of 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol?
The InChIKey is CTWNNRDWYCWYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10-7-11(2)13(14(15)8-10)9-16-5-3-12(17)4-6-16/h10-14,17H,3-9,15H2,1-2H3.
What are the key properties of 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol?
1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol has a molecular weight of 240.39 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol is sourced from PubChem (CID 64736403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).