(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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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).