4-(aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol

C14H26N2O — CID 82292267

IUPAC4-(aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol
SMILESNCC1(O)CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C14H26N2O/c15-12-14(17)7-10-16(11-8-14)9-6-13-4-2-1-3-5-13/h4,17H,1-3,5-12,15H2
InChIKeyOBTONBNVNUAXBO-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.66
Rot. Bonds4

About 4-(aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol

4-(aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol (PubChem CID 82292267) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol
PubChem CID82292267
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-(aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol
SMILESNCC1(O)CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C14H26N2O/c15-12-14(17)7-10-16(11-8-14)9-6-13-4-2-1-3-5-13/h4,17H,1-3,5-12,15H2
InChIKeyOBTONBNVNUAXBO-UHFFFAOYSA-N
XLogP1.66
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol
CID 145044472
1-[2-(Cyclohexen-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol
CID 95462753
4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol
CID 114460113
1-(Cyclohex-1-EN-1-ylmethyl)-4-[(dimethylamino)methyl]piperidin-4-OL
CID 129614978
4-[2-(Cyclohexen-1-yl)ethynyl]piperidin-4-ol
CID 162372007

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol?
The IUPAC name of 4-(aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol (CID 82292267) is 4-(aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol?
The canonical SMILES for 4-(aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol is NCC1(O)CCN(CCC2=CCCCC2)CC1.
What is the InChIKey of 4-(aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol?
The InChIKey is OBTONBNVNUAXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c15-12-14(17)7-10-16(11-8-14)9-6-13-4-2-1-3-5-13/h4,17H,1-3,5-12,15H2.
What are the key properties of 4-(aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol?
4-(aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol has a molecular weight of 238.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol is sourced from PubChem (CID 82292267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).