4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine

C16H20N4 — CID 124976907

IUPAC4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine
SMILESCc1cnccc1CN1CCC[C@H](c2ccncn2)C1
InChIInChI=1S/C16H20N4/c1-13-9-17-6-4-14(13)10-20-8-2-3-15(11-20)16-5-7-18-12-19-16/h4-7,9,12,15H,2-3,8,10-11H2,1H3/t15-/m0/s1
InChIKeyLISJXHZTSOKLIN-HNNXBMFYSA-N
MW268.36 g/mol
LogP2.56
Rot. Bonds3

About 4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine

4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine (PubChem CID 124976907) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine
PubChem CID124976907
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine
SMILESCc1cnccc1CN1CCC[C@H](c2ccncn2)C1
InChIInChI=1S/C16H20N4/c1-13-9-17-6-4-14(13)10-20-8-2-3-15(11-20)16-5-7-18-12-19-16/h4-7,9,12,15H,2-3,8,10-11H2,1H3/t15-/m0/s1
InChIKeyLISJXHZTSOKLIN-HNNXBMFYSA-N
XLogP2.56
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine
CID 110096175
4-[1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]pyrimidine
CID 74244871
5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124980487
4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine
CID 98323673
4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine
CID 124961155
2-[(3-methyl-4-pyridinyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 114702040
4-[(3R)-1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]pyrimidine
CID 124984221
4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine
CID 131891459
N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
CID 110111840
2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 99930503
N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110111841
3-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-1,4-diazepane
CID 114702006

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine?
The IUPAC name of 4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine (CID 124976907) is 4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine.
What is the SMILES notation for 4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine?
The canonical SMILES for 4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine is Cc1cnccc1CN1CCC[C@H](c2ccncn2)C1.
What is the InChIKey of 4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine?
The InChIKey is LISJXHZTSOKLIN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N4/c1-13-9-17-6-4-14(13)10-20-8-2-3-15(11-20)16-5-7-18-12-19-16/h4-7,9,12,15H,2-3,8,10-11H2,1H3/t15-/m0/s1.
What are the key properties of 4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine?
4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine has a molecular weight of 268.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine is sourced from PubChem (CID 124976907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).