(3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine

C16H22N4O — CID 95387512

IUPAC(3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine
SMILESCOc1ccc(Cn2cc(N3CCC[C@@H](N)C3)cn2)cc1
InChIInChI=1S/C16H22N4O/c1-21-16-6-4-13(5-7-16)10-20-12-15(9-18-20)19-8-2-3-14(17)11-19/h4-7,9,12,14H,2-3,8,10-11,17H2,1H3/t14-/m1/s1
InChIKeyNVGNEKOBJWEJHP-CQSZACIVSA-N
MW286.38 g/mol
LogP1.87
Rot. Bonds4

About (3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine

(3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine (PubChem CID 95387512) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine
PubChem CID95387512
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine
SMILESCOc1ccc(Cn2cc(N3CCC[C@@H](N)C3)cn2)cc1
InChIInChI=1S/C16H22N4O/c1-21-16-6-4-13(5-7-16)10-20-12-15(9-18-20)19-8-2-3-14(17)11-19/h4-7,9,12,14H,2-3,8,10-11,17H2,1H3/t14-/m1/s1
InChIKeyNVGNEKOBJWEJHP-CQSZACIVSA-N
XLogP1.87
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine
CID 69206304
4-[[2-(3-aminopiperidin-1-yl)-6-methoxybenzimidazol-1-yl]methyl]benzonitrile
CID 155143026
1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride
CID 168974066
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine
CID 176804108
(5S)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione
CID 154788811
4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
CID 155787800
(3-aminopiperidin-1-yl)-[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119377328
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328527

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine?
The IUPAC name of (3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine (CID 95387512) is (3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine is COc1ccc(Cn2cc(N3CCC[C@@H](N)C3)cn2)cc1.
What is the InChIKey of (3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine?
The InChIKey is NVGNEKOBJWEJHP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4O/c1-21-16-6-4-13(5-7-16)10-20-12-15(9-18-20)19-8-2-3-14(17)11-19/h4-7,9,12,14H,2-3,8,10-11,17H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine?
(3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine is sourced from PubChem (CID 95387512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).