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

C17H34N2O — CID 79135379

IUPAC4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(C2(CN)CCC(C(C)C)CC2)CC1
InChIInChI=1S/C17H34N2O/c1-4-19-11-9-17(20,10-12-19)16(13-18)7-5-15(6-8-16)14(2)3/h14-15,20H,4-13,18H2,1-3H3
InChIKeyLHMRDGGPHNPUAC-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.62
Rot. Bonds4

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

4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-ethylpiperidin-4-ol (PubChem CID 79135379) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-ethylpiperidin-4-ol
PubChem CID79135379
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(C2(CN)CCC(C(C)C)CC2)CC1
InChIInChI=1S/C17H34N2O/c1-4-19-11-9-17(20,10-12-19)16(13-18)7-5-15(6-8-16)14(2)3/h14-15,20H,4-13,18H2,1-3H3
InChIKeyLHMRDGGPHNPUAC-UHFFFAOYSA-N
XLogP2.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.62
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-ethylpiperidin-4-ol?
The IUPAC name of 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-ethylpiperidin-4-ol (CID 79135379) is 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-ethylpiperidin-4-ol.
What is the SMILES notation for 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-ethylpiperidin-4-ol?
The canonical SMILES for 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-ethylpiperidin-4-ol is CCN1CCC(O)(C2(CN)CCC(C(C)C)CC2)CC1.
What is the InChIKey of 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-ethylpiperidin-4-ol?
The InChIKey is LHMRDGGPHNPUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-19-11-9-17(20,10-12-19)16(13-18)7-5-15(6-8-16)14(2)3/h14-15,20H,4-13,18H2,1-3H3.
What are the key properties of 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-ethylpiperidin-4-ol?
4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-ethylpiperidin-4-ol has a molecular weight of 282.47 g/mol, XLogP of 2.62, 4 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-ethylpiperidin-4-ol is sourced from PubChem (CID 79135379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).