N-(cyclohexylmethyl)-1-(2,3-difluorophenyl)piperidin-3-amine

C18H26F2N2 — CID 83998643

IUPACN-(cyclohexylmethyl)-1-(2,3-difluorophenyl)piperidin-3-amine
SMILESFc1cccc(N2CCCC(NCC3CCCCC3)C2)c1F
InChIInChI=1S/C18H26F2N2/c19-16-9-4-10-17(18(16)20)22-11-5-8-15(13-22)21-12-14-6-2-1-3-7-14/h4,9-10,14-15,21H,1-3,5-8,11-13H2
InChIKeyHPDULUFWNRCDHC-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.10
Rot. Bonds4

About N-(cyclohexylmethyl)-1-(2,3-difluorophenyl)piperidin-3-amine

N-(cyclohexylmethyl)-1-(2,3-difluorophenyl)piperidin-3-amine (PubChem CID 83998643) has the molecular formula C18H26F2N2 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(2,3-difluorophenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(2,3-difluorophenyl)piperidin-3-amine
PubChem CID83998643
Molecular FormulaC18H26F2N2
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-(cyclohexylmethyl)-1-(2,3-difluorophenyl)piperidin-3-amine
SMILESFc1cccc(N2CCCC(NCC3CCCCC3)C2)c1F
InChIInChI=1S/C18H26F2N2/c19-16-9-4-10-17(18(16)20)22-11-5-8-15(13-22)21-12-14-6-2-1-3-7-14/h4,9-10,14-15,21H,1-3,5-8,11-13H2
InChIKeyHPDULUFWNRCDHC-UHFFFAOYSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-1-(2,3-difluorophenyl)piperidin-3-amine
CID 83999334
N-(cyclobutylmethyl)-1-(2,3-difluorophenyl)-5-methylpiperidin-3-amine
CID 83997260
N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine
CID 83998581
1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine
CID 91353015
[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine
CID 61076640
(3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
CID 51656625
N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 63667562
[3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone
CID 83997186
N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine
CID 83996558
3-cyclohexyl-1-(2,3-difluorophenyl)piperazine
CID 64924730
1-(2,3-difluorophenyl)-4-ethylpiperidine
CID 155298255
N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43635354

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(2,3-difluorophenyl)piperidin-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-1-(2,3-difluorophenyl)piperidin-3-amine (CID 83998643) is N-(cyclohexylmethyl)-1-(2,3-difluorophenyl)piperidin-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(2,3-difluorophenyl)piperidin-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1-(2,3-difluorophenyl)piperidin-3-amine is Fc1cccc(N2CCCC(NCC3CCCCC3)C2)c1F.
What is the InChIKey of N-(cyclohexylmethyl)-1-(2,3-difluorophenyl)piperidin-3-amine?
The InChIKey is HPDULUFWNRCDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2/c19-16-9-4-10-17(18(16)20)22-11-5-8-15(13-22)21-12-14-6-2-1-3-7-14/h4,9-10,14-15,21H,1-3,5-8,11-13H2.
What are the key properties of N-(cyclohexylmethyl)-1-(2,3-difluorophenyl)piperidin-3-amine?
N-(cyclohexylmethyl)-1-(2,3-difluorophenyl)piperidin-3-amine has a molecular weight of 308.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(2,3-difluorophenyl)piperidin-3-amine is sourced from PubChem (CID 83998643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).