N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine

C23H38FN3 — CID 30852130

IUPACN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N(C)CC2CCN(CCc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C23H38FN3/c1-19(2)27-15-10-23(11-16-27)25(3)18-21-8-13-26(14-9-21)12-7-20-5-4-6-22(24)17-20/h4-6,17,19,21,23H,7-16,18H2,1-3H3
InChIKeyAOVRGTAPUMGCQC-UHFFFAOYSA-N
MW375.58 g/mol
LogP3.88
Rot. Bonds7

About N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine

N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine (PubChem CID 30852130) has the molecular formula C23H38FN3 and a molecular weight of 375.58 g/mol. Its IUPAC name is N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
PubChem CID30852130
Molecular FormulaC23H38FN3
Molecular Weight375.58 g/mol
Exact Mass375.30
IUPAC NameN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N(C)CC2CCN(CCc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C23H38FN3/c1-19(2)27-15-10-23(11-16-27)25(3)18-21-8-13-26(14-9-21)12-7-20-5-4-6-22(24)17-20/h4-6,17,19,21,23H,7-16,18H2,1-3H3
InChIKeyAOVRGTAPUMGCQC-UHFFFAOYSA-N
XLogP3.88
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.58
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Lobelane
CID 10470490
2-Benzyl-1-(5-phenylpentyl)piperidine
CID 54087039
N-benzyl-N-(2-phenylethyl)-1-propyl-4-piperidinamine
CID 2846300
Tyrosinase Inhibitor, 4
CID 23727896
N,1-dimethyl-N-(2-phenylpropyl)-4-piperidinamine
CID 2845747
1-Ethyl-4-(4-phenylbutan-2-yl)piperazine
CID 2846301
3-Methyl-1-phenethyl-piperidine
CID 10241987
4-(4-Fluoro-benzyl)-1-(4-phenyl-butyl)-piperidine
CID 10404071
Benzhydryl-{2-[1-(4-fluoro-benzyl)-piperidin-4-yl]-ethyl}-methyl-amine
CID 10645590
4-Methyl-1-phenethyl-piperidine
CID 15153362
1-Cyclohexyl-4-phenylpiperidine
CID 15925897
Diethyl-[(S)-2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-amine
CID 44404549

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine (CID 30852130) is N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(N(C)CC2CCN(CCc3cccc(F)c3)CC2)CC1.
What is the InChIKey of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
The InChIKey is AOVRGTAPUMGCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38FN3/c1-19(2)27-15-10-23(11-16-27)25(3)18-21-8-13-26(14-9-21)12-7-20-5-4-6-22(24)17-20/h4-6,17,19,21,23H,7-16,18H2,1-3H3.
What are the key properties of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine has a molecular weight of 375.58 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 30852130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).