(3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine

C16H20F2N4 — CID 25381174

IUPAC(3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
SMILESCn1cc(CN2CCC[C@H](Nc3ccc(F)c(F)c3)C2)cn1
InChIInChI=1S/C16H20F2N4/c1-21-9-12(8-19-21)10-22-6-2-3-14(11-22)20-13-4-5-15(17)16(18)7-13/h4-5,7-9,14,20H,2-3,6,10-11H2,1H3/t14-/m0/s1
InChIKeyQRFWNADJHSUEBH-AWEZNQCLSA-N
MW306.36 g/mol
LogP2.77
Rot. Bonds4

About (3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine

(3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine (PubChem CID 25381174) has the molecular formula C16H20F2N4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
PubChem CID25381174
Molecular FormulaC16H20F2N4
Molecular Weight306.36 g/mol
Exact Mass306.17
IUPAC Name(3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
SMILESCn1cc(CN2CCC[C@H](Nc3ccc(F)c(F)c3)C2)cn1
InChIInChI=1S/C16H20F2N4/c1-21-9-12(8-19-21)10-22-6-2-3-14(11-22)20-13-4-5-15(17)16(18)7-13/h4-5,7-9,14,20H,2-3,6,10-11H2,1H3/t14-/m0/s1
InChIKeyQRFWNADJHSUEBH-AWEZNQCLSA-N
XLogP2.77
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 25289632
(3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine
CID 25370484
(3R)-N-(3,4-difluorophenyl)-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-3-amine
CID 26320088
1-[3-[[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methyl]phenyl]ethanone
CID 25381608
[5-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]furan-2-yl]methanol
CID 45253063
N-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine
CID 59290603
2-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 45241710
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
2-[2-[[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 42213563
N-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine
CID 59290812
N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44594373
(6S)-2-amino-6-[5-[(1-benzylpiperidin-3-yl)amino]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 57497064

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of (3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine (CID 25381174) is (3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine is Cn1cc(CN2CCC[C@H](Nc3ccc(F)c(F)c3)C2)cn1.
What is the InChIKey of (3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is QRFWNADJHSUEBH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20F2N4/c1-21-9-12(8-19-21)10-22-6-2-3-14(11-22)20-13-4-5-15(17)16(18)7-13/h4-5,7-9,14,20H,2-3,6,10-11H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine?
(3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 306.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 25381174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).