4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine

C13H17N5 — CID 124961155

IUPAC4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine
SMILESc1cc([C@H]2CCCN(Cc3ncc[nH]3)C2)ncn1
InChIInChI=1S/C13H17N5/c1-2-11(12-3-4-14-10-17-12)8-18(7-1)9-13-15-5-6-16-13/h3-6,10-11H,1-2,7-9H2,(H,15,16)/t11-/m0/s1
InChIKeyGZPARSIZURAQAN-NSHDSACASA-N
MW243.31 g/mol
LogP1.58
Rot. Bonds3

About 4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine

4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine (PubChem CID 124961155) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine
PubChem CID124961155
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine
SMILESc1cc([C@H]2CCCN(Cc3ncc[nH]3)C2)ncn1
InChIInChI=1S/C13H17N5/c1-2-11(12-3-4-14-10-17-12)8-18(7-1)9-13-15-5-6-16-13/h3-6,10-11H,1-2,7-9H2,(H,15,16)/t11-/m0/s1
InChIKeyGZPARSIZURAQAN-NSHDSACASA-N
XLogP1.58
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine
CID 98323673
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine
CID 110096175
5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124980487
4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine
CID 124976907
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
6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 125012175
4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine
CID 124946485
2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 99930503
2-[4-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]phenoxy]acetic acid
CID 124977007
6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine
CID 124989953
5-tert-butyl-3-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95353474

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine?
The IUPAC name of 4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine (CID 124961155) is 4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine.
What is the SMILES notation for 4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine?
The canonical SMILES for 4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine is c1cc([C@H]2CCCN(Cc3ncc[nH]3)C2)ncn1.
What is the InChIKey of 4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine?
The InChIKey is GZPARSIZURAQAN-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N5/c1-2-11(12-3-4-14-10-17-12)8-18(7-1)9-13-15-5-6-16-13/h3-6,10-11H,1-2,7-9H2,(H,15,16)/t11-/m0/s1.
What are the key properties of 4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine?
4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine has a molecular weight of 243.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine is sourced from PubChem (CID 124961155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).