N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine

C20H31FN2 — CID 83998287

IUPACN-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine
SMILESCN1CC(Cc2ccc(F)cc2)CC(NCC2CCCCC2)C1
InChIInChI=1S/C20H31FN2/c1-23-14-18(11-16-7-9-19(21)10-8-16)12-20(15-23)22-13-17-5-3-2-4-6-17/h7-10,17-18,20,22H,2-6,11-15H2,1H3
InChIKeyBMIREXDWUSHXFG-UHFFFAOYSA-N
MW318.48 g/mol
LogP3.86
Rot. Bonds5

About N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine

N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine (PubChem CID 83998287) has the molecular formula C20H31FN2 and a molecular weight of 318.48 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine
PubChem CID83998287
Molecular FormulaC20H31FN2
Molecular Weight318.48 g/mol
Exact Mass318.25
IUPAC NameN-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine
SMILESCN1CC(Cc2ccc(F)cc2)CC(NCC2CCCCC2)C1
InChIInChI=1S/C20H31FN2/c1-23-14-18(11-16-7-9-19(21)10-8-16)12-20(15-23)22-13-17-5-3-2-4-6-17/h7-10,17-18,20,22H,2-6,11-15H2,1H3
InChIKeyBMIREXDWUSHXFG-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-1-methyl-5-(thiophen-2-ylmethyl)piperidin-3-amine
CID 83998292
N-(cyclohexylmethyl)-5-(cyclopropylmethyl)-1-methylpiperidin-3-amine
CID 83998283
N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83997039
5-benzyl-N-(cyclobutylmethyl)-1-ethylpiperidin-3-amine
CID 83996943
N-(cyclopropylmethyl)-1-methyl-5-(thiophen-2-ylmethyl)piperidin-3-amine
CID 83996218
N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine
CID 83996930
N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine
CID 83996965
N-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine
CID 83998289
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]ethanol
CID 83997610
1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane
CID 142001258
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83997613
N-(cyclopentylmethyl)-1-ethyl-5-(thiophen-3-ylmethyl)piperidin-3-amine
CID 83997648

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine (CID 83998287) is N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine is CN1CC(Cc2ccc(F)cc2)CC(NCC2CCCCC2)C1.
What is the InChIKey of N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine?
The InChIKey is BMIREXDWUSHXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN2/c1-23-14-18(11-16-7-9-19(21)10-8-16)12-20(15-23)22-13-17-5-3-2-4-6-17/h7-10,17-18,20,22H,2-6,11-15H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine?
N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine has a molecular weight of 318.48 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 83998287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).