N-[4-(3-fluoro-4-propylcyclohexyl)-3-methylpentyl]-2,2,6,6-tetramethylpiperidin-4-amine

C24H47FN2 — CID 174342438

IUPACN-[4-(3-fluoro-4-propylcyclohexyl)-3-methylpentyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCCCC1CCC(C(C)C(C)CCNC2CC(C)(C)NC(C)(C)C2)CC1F
InChIInChI=1S/C24H47FN2/c1-8-9-19-10-11-20(14-22(19)25)18(3)17(2)12-13-26-21-15-23(4,5)27-24(6,7)16-21/h17-22,26-27H,8-16H2,1-7H3
InChIKeyBHYGHHJEHRSAPL-UHFFFAOYSA-N
MW382.65 g/mol
LogP6.10
Rot. Bonds8

About N-[4-(3-fluoro-4-propylcyclohexyl)-3-methylpentyl]-2,2,6,6-tetramethylpiperidin-4-amine

N-[4-(3-fluoro-4-propylcyclohexyl)-3-methylpentyl]-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 174342438) has the molecular formula C24H47FN2 and a molecular weight of 382.65 g/mol. Its IUPAC name is N-[4-(3-fluoro-4-propylcyclohexyl)-3-methylpentyl]-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[4-(3-fluoro-4-propylcyclohexyl)-3-methylpentyl]-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID174342438
Molecular FormulaC24H47FN2
Molecular Weight382.65 g/mol
Exact Mass382.37
IUPAC NameN-[4-(3-fluoro-4-propylcyclohexyl)-3-methylpentyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCCCC1CCC(C(C)C(C)CCNC2CC(C)(C)NC(C)(C)C2)CC1F
InChIInChI=1S/C24H47FN2/c1-8-9-19-10-11-20(14-22(19)25)18(3)17(2)12-13-26-21-15-23(4,5)27-24(6,7)16-21/h17-22,26-27H,8-16H2,1-7H3
InChIKeyBHYGHHJEHRSAPL-UHFFFAOYSA-N
XLogP6.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.65
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-4-propylcyclohexyl)-3-methylpentyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-[4-(3-fluoro-4-propylcyclohexyl)-3-methylpentyl]-2,2,6,6-tetramethylpiperidin-4-amine (CID 174342438) is N-[4-(3-fluoro-4-propylcyclohexyl)-3-methylpentyl]-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-[4-(3-fluoro-4-propylcyclohexyl)-3-methylpentyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-[4-(3-fluoro-4-propylcyclohexyl)-3-methylpentyl]-2,2,6,6-tetramethylpiperidin-4-amine is CCCC1CCC(C(C)C(C)CCNC2CC(C)(C)NC(C)(C)C2)CC1F.
What is the InChIKey of N-[4-(3-fluoro-4-propylcyclohexyl)-3-methylpentyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is BHYGHHJEHRSAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47FN2/c1-8-9-19-10-11-20(14-22(19)25)18(3)17(2)12-13-26-21-15-23(4,5)27-24(6,7)16-21/h17-22,26-27H,8-16H2,1-7H3.
What are the key properties of N-[4-(3-fluoro-4-propylcyclohexyl)-3-methylpentyl]-2,2,6,6-tetramethylpiperidin-4-amine?
N-[4-(3-fluoro-4-propylcyclohexyl)-3-methylpentyl]-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 382.65 g/mol, XLogP of 6.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-4-propylcyclohexyl)-3-methylpentyl]-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 174342438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).