2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine

C15H18N4 — CID 116898975

IUPAC2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine
SMILESc1ccc(-c2ccnc(CC3CCCNC3)n2)nc1
InChIInChI=1S/C15H18N4/c1-2-8-17-13(5-1)14-6-9-18-15(19-14)10-12-4-3-7-16-11-12/h1-2,5-6,8-9,12,16H,3-4,7,10-11H2
InChIKeyNTJSPFRRTBUWSR-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.08
Rot. Bonds3

About 2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine

2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine (PubChem CID 116898975) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine
PubChem CID116898975
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine
SMILESc1ccc(-c2ccnc(CC3CCCNC3)n2)nc1
InChIInChI=1S/C15H18N4/c1-2-8-17-13(5-1)14-6-9-18-15(19-14)10-12-4-3-7-16-11-12/h1-2,5-6,8-9,12,16H,3-4,7,10-11H2
InChIKeyNTJSPFRRTBUWSR-UHFFFAOYSA-N
XLogP2.08
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 146064536
3-(2-piperidin-3-ylethyl)-5-pyridin-2-yl-1,2,4-oxadiazole
CID 176515486
3-[(4-ethylpyrimidin-2-yl)methyl]azepane
CID 84685076
5-(piperidin-3-ylmethyl)quinoline
CID 73439136
N-(piperidin-3-ylmethyl)-6-pyridin-2-ylpyridazin-3-amine
CID 116971115
4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine
CID 116898947
2-[2-[(3R)-piperidin-3-yl]ethoxy]pyridine
CID 94409716
7-(piperidin-3-ylmethyl)quinoline
CID 84791058
(4-pyridin-2-ylpyrimidin-2-yl)methanol
CID 116899498
3-(2-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164076
2-(pyrrolidin-3-ylmethyl)pyridine;hydrochloride
CID 86262770
4-(piperidin-3-ylmethyl)quinazoline
CID 105484818

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine?
The IUPAC name of 2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine (CID 116898975) is 2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine?
The canonical SMILES for 2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine is c1ccc(-c2ccnc(CC3CCCNC3)n2)nc1.
What is the InChIKey of 2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine?
The InChIKey is NTJSPFRRTBUWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-8-17-13(5-1)14-6-9-18-15(19-14)10-12-4-3-7-16-11-12/h1-2,5-6,8-9,12,16H,3-4,7,10-11H2.
What are the key properties of 2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine?
2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine has a molecular weight of 254.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine is sourced from PubChem (CID 116898975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).