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

C18H36N2O — CID 79125521

IUPAC4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(C2(CN)CCC(C(C)C)CC2)CC1
InChIInChI=1S/C18H36N2O/c1-4-11-20-12-9-18(21,10-13-20)17(14-19)7-5-16(6-8-17)15(2)3/h15-16,21H,4-14,19H2,1-3H3
InChIKeyDTRCCURLMQEUEB-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.01
Rot. Bonds5

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

4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-propylpiperidin-4-ol (PubChem CID 79125521) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-propylpiperidin-4-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-propylpiperidin-4-ol
PubChem CID79125521
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(C2(CN)CCC(C(C)C)CC2)CC1
InChIInChI=1S/C18H36N2O/c1-4-11-20-12-9-18(21,10-13-20)17(14-19)7-5-16(6-8-17)15(2)3/h15-16,21H,4-14,19H2,1-3H3
InChIKeyDTRCCURLMQEUEB-UHFFFAOYSA-N
XLogP3.01
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.01
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-propylpiperidin-4-ol?
The IUPAC name of 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-propylpiperidin-4-ol (CID 79125521) is 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-propylpiperidin-4-ol.
What is the SMILES notation for 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-propylpiperidin-4-ol?
The canonical SMILES for 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-propylpiperidin-4-ol is CCCN1CCC(O)(C2(CN)CCC(C(C)C)CC2)CC1.
What is the InChIKey of 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-propylpiperidin-4-ol?
The InChIKey is DTRCCURLMQEUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-11-20-12-9-18(21,10-13-20)17(14-19)7-5-16(6-8-17)15(2)3/h15-16,21H,4-14,19H2,1-3H3.
What are the key properties of 4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-propylpiperidin-4-ol?
4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-propylpiperidin-4-ol has a molecular weight of 296.50 g/mol, XLogP of 3.01, 5 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-propylpiperidin-4-ol is sourced from PubChem (CID 79125521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).