(3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine

C20H31FN2O — CID 51635194

IUPAC(3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1ccc(CN[C@@H]2CCCN(CC3CCCCC3)C2)cc1F
InChIInChI=1S/C20H31FN2O/c1-24-20-10-9-17(12-19(20)21)13-22-18-8-5-11-23(15-18)14-16-6-3-2-4-7-16/h9-10,12,16,18,22H,2-8,11,13-15H2,1H3/t18-/m1/s1
InChIKeyMTTNCEAOECIPGF-GOSISDBHSA-N
MW334.48 g/mol
LogP3.97
Rot. Bonds6

About (3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine

(3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine (PubChem CID 51635194) has the molecular formula C20H31FN2O and a molecular weight of 334.48 g/mol. Its IUPAC name is (3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
PubChem CID51635194
Molecular FormulaC20H31FN2O
Molecular Weight334.48 g/mol
Exact Mass334.24
IUPAC Name(3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1ccc(CN[C@@H]2CCCN(CC3CCCCC3)C2)cc1F
InChIInChI=1S/C20H31FN2O/c1-24-20-10-9-17(12-19(20)21)13-22-18-8-5-11-23(15-18)14-16-6-3-2-4-7-16/h9-10,12,16,18,22H,2-8,11,13-15H2,1H3/t18-/m1/s1
InChIKeyMTTNCEAOECIPGF-GOSISDBHSA-N
XLogP3.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine with MolForge

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Related Compounds

1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 61169019
N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine
CID 83993970
3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 60612459
(3S)-N-[(4-ethoxy-3-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 124888646
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
CID 21435425
N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine
CID 61169801
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
CID 63855146
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N,1-bis[(3,4-diethoxyphenyl)methyl]pyrrolidin-3-amine
CID 18914019

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine?
The IUPAC name of (3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine (CID 51635194) is (3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine is COc1ccc(CN[C@@H]2CCCN(CC3CCCCC3)C2)cc1F.
What is the InChIKey of (3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine?
The InChIKey is MTTNCEAOECIPGF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H31FN2O/c1-24-20-10-9-17(12-19(20)21)13-22-18-8-5-11-23(15-18)14-16-6-3-2-4-7-16/h9-10,12,16,18,22H,2-8,11,13-15H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine?
(3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine has a molecular weight of 334.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 51635194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).