2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]piperidin-3-amine

C20H22F2N6O — CID 22106496

IUPAC2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]piperidin-3-amine
SMILESCOc1ccc(-n2cnnn2)cc1CNC1CCCNC1c1ccc(F)c(F)c1
InChIInChI=1S/C20H22F2N6O/c1-29-19-7-5-15(28-12-25-26-27-28)9-14(19)11-24-18-3-2-8-23-20(18)13-4-6-16(21)17(22)10-13/h4-7,9-10,12,18,20,23-24H,2-3,8,11H2,1H3
InChIKeyNLPXSCHAOPGKPR-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.53
Rot. Bonds6

About 2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]piperidin-3-amine

2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]piperidin-3-amine (PubChem CID 22106496) has the molecular formula C20H22F2N6O and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]piperidin-3-amine
PubChem CID22106496
Molecular FormulaC20H22F2N6O
Molecular Weight400.43 g/mol
Exact Mass400.18
IUPAC Name2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]piperidin-3-amine
SMILESCOc1ccc(-n2cnnn2)cc1CNC1CCCNC1c1ccc(F)c(F)c1
InChIInChI=1S/C20H22F2N6O/c1-29-19-7-5-15(28-12-25-26-27-28)9-14(19)11-24-18-3-2-8-23-20(18)13-4-6-16(21)17(22)10-13/h4-7,9-10,12,18,20,23-24H,2-3,8,11H2,1H3
InChIKeyNLPXSCHAOPGKPR-UHFFFAOYSA-N
XLogP2.53
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]piperidin-3-amine
CID 22106519
(2S,3S)-2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]piperidin-3-amine
CID 67615665
(2R,3R)-2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]piperidin-3-amine
CID 22880685
N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-3-amine
CID 22106569
N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-(4-methylphenyl)piperidin-3-amine
CID 21461222
N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-(4-methylphenyl)piperidin-3-amine;dihydrochloride
CID 22106536
(2R,3R)-N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-(4-methylphenyl)piperidin-3-amine;dihydrochloride
CID 22880725
(2S,3S)-N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-(4-methylphenyl)piperidin-3-amine;dihydrochloride
CID 67617499
N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 3025910
(2S,3S)-N-[[2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 22880695
N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 22106584
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride
CID 18533782

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]piperidin-3-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]piperidin-3-amine (CID 22106496) is 2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]piperidin-3-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]piperidin-3-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]piperidin-3-amine is COc1ccc(-n2cnnn2)cc1CNC1CCCNC1c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]piperidin-3-amine?
The InChIKey is NLPXSCHAOPGKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6O/c1-29-19-7-5-15(28-12-25-26-27-28)9-14(19)11-24-18-3-2-8-23-20(18)13-4-6-16(21)17(22)10-13/h4-7,9-10,12,18,20,23-24H,2-3,8,11H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]piperidin-3-amine?
2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]piperidin-3-amine has a molecular weight of 400.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]piperidin-3-amine is sourced from PubChem (CID 22106496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).