2-[[2-[(3S)-piperidin-3-yl]imidazol-1-yl]methyl]pyridine

C14H18N4 — CID 97357420

IUPAC2-[[2-[(3S)-piperidin-3-yl]imidazol-1-yl]methyl]pyridine
SMILESc1ccc(Cn2ccnc2[C@H]2CCCNC2)nc1
InChIInChI=1S/C14H18N4/c1-2-7-16-13(5-1)11-18-9-8-17-14(18)12-4-3-6-15-10-12/h1-2,5,7-9,12,15H,3-4,6,10-11H2/t12-/m0/s1
InChIKeyLXRFZDFSKFBKCH-LBPRGKRZSA-N
MW242.33 g/mol
LogP1.79
Rot. Bonds3

About 2-[[2-[(3S)-piperidin-3-yl]imidazol-1-yl]methyl]pyridine

2-[[2-[(3S)-piperidin-3-yl]imidazol-1-yl]methyl]pyridine (PubChem CID 97357420) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-[[2-[(3S)-piperidin-3-yl]imidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[2-[(3S)-piperidin-3-yl]imidazol-1-yl]methyl]pyridine
PubChem CID97357420
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-[[2-[(3S)-piperidin-3-yl]imidazol-1-yl]methyl]pyridine
SMILESc1ccc(Cn2ccnc2[C@H]2CCCNC2)nc1
InChIInChI=1S/C14H18N4/c1-2-7-16-13(5-1)11-18-9-8-17-14(18)12-4-3-6-15-10-12/h1-2,5,7-9,12,15H,3-4,6,10-11H2/t12-/m0/s1
InChIKeyLXRFZDFSKFBKCH-LBPRGKRZSA-N
XLogP1.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3S)-piperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The IUPAC name of 2-[[2-[(3S)-piperidin-3-yl]imidazol-1-yl]methyl]pyridine (CID 97357420) is 2-[[2-[(3S)-piperidin-3-yl]imidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[2-[(3S)-piperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[2-[(3S)-piperidin-3-yl]imidazol-1-yl]methyl]pyridine is c1ccc(Cn2ccnc2[C@H]2CCCNC2)nc1.
What is the InChIKey of 2-[[2-[(3S)-piperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The InChIKey is LXRFZDFSKFBKCH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-7-16-13(5-1)11-18-9-8-17-14(18)12-4-3-6-15-10-12/h1-2,5,7-9,12,15H,3-4,6,10-11H2/t12-/m0/s1.
What are the key properties of 2-[[2-[(3S)-piperidin-3-yl]imidazol-1-yl]methyl]pyridine?
2-[[2-[(3S)-piperidin-3-yl]imidazol-1-yl]methyl]pyridine has a molecular weight of 242.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3S)-piperidin-3-yl]imidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 97357420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).