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

C15H30N2O — CID 79135943

IUPAC4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]piperidin-4-ol
SMILESCC(C)C1CCC(CN)(C2(O)CCNCC2)CC1
InChIInChI=1S/C15H30N2O/c1-12(2)13-3-5-14(11-16,6-4-13)15(18)7-9-17-10-8-15/h12-13,17-18H,3-11,16H2,1-2H3
InChIKeyRWLLMKZCDMZAKH-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.89
Rot. Bonds3

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

4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]piperidin-4-ol (PubChem CID 79135943) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]piperidin-4-ol
PubChem CID79135943
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]piperidin-4-ol
SMILESCC(C)C1CCC(CN)(C2(O)CCNCC2)CC1
InChIInChI=1S/C15H30N2O/c1-12(2)13-3-5-14(11-16,6-4-13)15(18)7-9-17-10-8-15/h12-13,17-18H,3-11,16H2,1-2H3
InChIKeyRWLLMKZCDMZAKH-UHFFFAOYSA-N
XLogP1.89
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol
CID 80699615
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4,4-dimethylcycloheptan-1-ol
CID 79124186
1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol
CID 80610748
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-propan-2-ylcyclohexan-1-ol
CID 79135033
4-[1-(aminomethyl)cyclopentyl]azepan-4-ol
CID 103983091
3-[1-(aminomethyl)-3-methylcyclopentyl]pyrrolidin-3-ol
CID 79134673
3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol
CID 79135758
1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol
CID 107450677
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol
CID 79125708
1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol
CID 107450682
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol
CID 79126602
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol
CID 79124995

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]piperidin-4-ol?
The IUPAC name of 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]piperidin-4-ol (CID 79135943) is 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]piperidin-4-ol.
What is the SMILES notation for 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]piperidin-4-ol?
The canonical SMILES for 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]piperidin-4-ol is CC(C)C1CCC(CN)(C2(O)CCNCC2)CC1.
What is the InChIKey of 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]piperidin-4-ol?
The InChIKey is RWLLMKZCDMZAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)13-3-5-14(11-16,6-4-13)15(18)7-9-17-10-8-15/h12-13,17-18H,3-11,16H2,1-2H3.
What are the key properties of 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]piperidin-4-ol?
4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]piperidin-4-ol has a molecular weight of 254.42 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]piperidin-4-ol is sourced from PubChem (CID 79135943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).