3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine

C16H22N4 — CID 124983720

IUPAC3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
SMILESCc1cn[nH]c1C[C@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C16H22N4/c1-13-9-18-19-16(13)8-14-5-3-7-20(11-14)12-15-4-2-6-17-10-15/h2,4,6,9-10,14H,3,5,7-8,11-12H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyNFVZCAGPHNMYTE-CQSZACIVSA-N
MW270.38 g/mol
LogP2.57
Rot. Bonds4

About 3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine

3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine (PubChem CID 124983720) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
PubChem CID124983720
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
SMILESCc1cn[nH]c1C[C@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C16H22N4/c1-13-9-18-19-16(13)8-14-5-3-7-20(11-14)12-15-4-2-6-17-10-15/h2,4,6,9-10,14H,3,5,7-8,11-12H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyNFVZCAGPHNMYTE-CQSZACIVSA-N
XLogP2.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 124952443
(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124956560
1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole
CID 124992897
4-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124981670
3-[[2-[[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 110149747
5-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 154757683
2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 97227448
[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 110106668
3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 95717145
2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 127246448
3-methyl-N-[2-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide
CID 95229690
1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 110106536

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine (CID 124983720) is 3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine is Cc1cn[nH]c1C[C@H]1CCCN(Cc2cccnc2)C1.
What is the InChIKey of 3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine?
The InChIKey is NFVZCAGPHNMYTE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-9-18-19-16(13)8-14-5-3-7-20(11-14)12-15-4-2-6-17-10-15/h2,4,6,9-10,14H,3,5,7-8,11-12H2,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of 3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine?
3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine has a molecular weight of 270.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 124983720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).