5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine

C18H29FN2 — CID 83995522

IUPAC5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine
SMILESCC(C)CCNC1CC(Cc2cccc(F)c2)CN(C)C1
InChIInChI=1S/C18H29FN2/c1-14(2)7-8-20-18-11-16(12-21(3)13-18)9-15-5-4-6-17(19)10-15/h4-6,10,14,16,18,20H,7-9,11-13H2,1-3H3
InChIKeyVLSHIVFIQRJNTL-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.32
Rot. Bonds6

About 5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine

5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine (PubChem CID 83995522) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine
PubChem CID83995522
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine
SMILESCC(C)CCNC1CC(Cc2cccc(F)c2)CN(C)C1
InChIInChI=1S/C18H29FN2/c1-14(2)7-8-20-18-11-16(12-21(3)13-18)9-15-5-4-6-17(19)10-15/h4-6,10,14,16,18,20H,7-9,11-13H2,1-3H3
InChIKeyVLSHIVFIQRJNTL-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-yl]-2-methylpropanamide
CID 112542536
1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine
CID 43566257
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926377
N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 83998287
1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine
CID 75518320
3-[1-methyl-5-(3-methylbutylamino)piperidin-3-yl]propanoic acid
CID 83995532
N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 119164826
N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428036
3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine
CID 79461214
2-[(3-fluorophenyl)methyl]-4-methylthiomorpholine
CID 174785090
N-[(3-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308668

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine (CID 83995522) is 5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine is CC(C)CCNC1CC(Cc2cccc(F)c2)CN(C)C1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine?
The InChIKey is VLSHIVFIQRJNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-14(2)7-8-20-18-11-16(12-21(3)13-18)9-15-5-4-6-17(19)10-15/h4-6,10,14,16,18,20H,7-9,11-13H2,1-3H3.
What are the key properties of 5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine?
5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine has a molecular weight of 292.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine is sourced from PubChem (CID 83995522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).