[2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol

C20H23N5O — CID 97145677

IUPAC[2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol
SMILESOCc1ccnc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)c1
InChIInChI=1S/C20H23N5O/c26-15-16-5-7-22-19(11-16)24-9-2-4-18(14-24)20-23-8-10-25(20)13-17-3-1-6-21-12-17/h1,3,5-8,10-12,18,26H,2,4,9,13-15H2/t18-/m0/s1
InChIKeyGDHNKWLAHKLVKE-SFHVURJKSA-N
MW349.44 g/mol
LogP2.60
Rot. Bonds5

About [2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol

[2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol (PubChem CID 97145677) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol
PubChem CID97145677
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol
SMILESOCc1ccnc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)c1
InChIInChI=1S/C20H23N5O/c26-15-16-5-7-22-19(11-16)24-9-2-4-18(14-24)20-23-8-10-25(20)13-17-3-1-6-21-12-17/h1,3,5-8,10-12,18,26H,2,4,9,13-15H2/t18-/m0/s1
InChIKeyGDHNKWLAHKLVKE-SFHVURJKSA-N
XLogP2.60
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol with MolForge

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Related Compounds

5-methyl-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 70776652
4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 97155167
2-methylsulfanyl-6-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 70760255
2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 97115819
4,5-dimethyl-6-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97130207
N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 70760109
4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine
CID 70723430
[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 72938457
3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97268302
(3-fluoro-4-pyridinyl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97194429
(4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97199720
(6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72923628

Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol?
The IUPAC name of [2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol (CID 97145677) is [2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol?
The canonical SMILES for [2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol is OCc1ccnc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)c1.
What is the InChIKey of [2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol?
The InChIKey is GDHNKWLAHKLVKE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N5O/c26-15-16-5-7-22-19(11-16)24-9-2-4-18(14-24)20-23-8-10-25(20)13-17-3-1-6-21-12-17/h1,3,5-8,10-12,18,26H,2,4,9,13-15H2/t18-/m0/s1.
What are the key properties of [2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol?
[2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol has a molecular weight of 349.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol is sourced from PubChem (CID 97145677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).