4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol

C13H24N2O — CID 71005542

IUPAC4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol
SMILESCC1(C2CC(CN)=CCC2O)CCNCC1
InChIInChI=1S/C13H24N2O/c1-13(4-6-15-7-5-13)11-8-10(9-14)2-3-12(11)16/h2,11-12,15-16H,3-9,14H2,1H3
InChIKeyUUTKDSFVHUJDKF-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.03
Rot. Bonds2

About 4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol

4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol (PubChem CID 71005542) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol
PubChem CID71005542
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol
SMILESCC1(C2CC(CN)=CCC2O)CCNCC1
InChIInChI=1S/C13H24N2O/c1-13(4-6-15-7-5-13)11-8-10(9-14)2-3-12(11)16/h2,11-12,15-16H,3-9,14H2,1H3
InChIKeyUUTKDSFVHUJDKF-UHFFFAOYSA-N
XLogP1.03
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,4a,5,6,7-Octahydroisoquinolin-5-ol
CID 54385647
1,2,3,4,4a,5,6,7-Octahydroisoquinolin-6-ol
CID 68831478
[(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol
CID 70634236
1-(4-Cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol
CID 134375505
1-(4-Cyclohexylidenepiperidin-3-yl)ethanol
CID 139316985
2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-6-ol
CID 139617018
(4aS,8aR)-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydroisoquinoline-7-carbonitrile
CID 146248491
(4aR,8aS)-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydroisoquinoline-7-carbonitrile
CID 146248531
(4aR)-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydroisoquinoline-7-carbonitrile
CID 166723282
(4aS,5S,8aR)-6-hydroxy-5,8a-dimethyl-2,3,4,4a,5,6-hexahydro-1H-isoquinoline-7-carbonitrile
CID 166820644
[(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-1-ium-3-yl]methanol
CID 7074559
[(3S)-1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-1-ium-3-yl]methanol
CID 7444411

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol?
The IUPAC name of 4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol (CID 71005542) is 4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol.
What is the SMILES notation for 4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol?
The canonical SMILES for 4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol is CC1(C2CC(CN)=CCC2O)CCNCC1.
What is the InChIKey of 4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol?
The InChIKey is UUTKDSFVHUJDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(4-6-15-7-5-13)11-8-10(9-14)2-3-12(11)16/h2,11-12,15-16H,3-9,14H2,1H3.
What are the key properties of 4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol?
4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol has a molecular weight of 224.35 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol is sourced from PubChem (CID 71005542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).