3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine

C15H20N4 — CID 95717145

IUPAC3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine
SMILESc1cncc(CN2CCC[C@@H](Cn3ccnc3)C2)c1
InChIInChI=1S/C15H20N4/c1-3-14(9-16-5-1)10-18-7-2-4-15(11-18)12-19-8-6-17-13-19/h1,3,5-6,8-9,13,15H,2,4,7,10-12H2/t15-/m1/s1
InChIKeyRHXMMHKTWQQMFU-OAHLLOKOSA-N
MW256.35 g/mol
LogP2.19
Rot. Bonds4

About 3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine

3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine (PubChem CID 95717145) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine
PubChem CID95717145
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine
SMILESc1cncc(CN2CCC[C@@H](Cn3ccnc3)C2)c1
InChIInChI=1S/C15H20N4/c1-3-14(9-16-5-1)10-18-7-2-4-15(11-18)12-19-8-6-17-13-19/h1,3,5-6,8-9,13,15H,2,4,7,10-12H2/t15-/m1/s1
InChIKeyRHXMMHKTWQQMFU-OAHLLOKOSA-N
XLogP2.19
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(imidazol-1-ylmethyl)-1-(1H-imidazol-5-ylmethyl)piperidine
CID 99962032
(3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 97436583
5-[[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole
CID 99932937
(4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97200994
4-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 95725370
2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 124952443
3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124983720
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
5-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 154757683
3-[[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
CID 56869553
(3S)-1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-3-(imidazol-1-ylmethyl)piperidine
CID 95711329
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine (CID 95717145) is 3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine is c1cncc(CN2CCC[C@@H](Cn3ccnc3)C2)c1.
What is the InChIKey of 3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine?
The InChIKey is RHXMMHKTWQQMFU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-14(9-16-5-1)10-18-7-2-4-15(11-18)12-19-8-6-17-13-19/h1,3,5-6,8-9,13,15H,2,4,7,10-12H2/t15-/m1/s1.
What are the key properties of 3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine?
3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine has a molecular weight of 256.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 95717145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).