[(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanol

C16H21N3O — CID 95857174

IUPAC[(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(Cc2cccn2-c2cccnc2)C1
InChIInChI=1S/C16H21N3O/c20-13-14-4-2-8-18(11-14)12-16-6-3-9-19(16)15-5-1-7-17-10-15/h1,3,5-7,9-10,14,20H,2,4,8,11-13H2/t14-/m1/s1
InChIKeyWJIKCWUJUHFSAM-CQSZACIVSA-N
MW271.36 g/mol
LogP2.08
Rot. Bonds4

About [(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanol

[(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanol (PubChem CID 95857174) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanol
PubChem CID95857174
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(Cc2cccn2-c2cccnc2)C1
InChIInChI=1S/C16H21N3O/c20-13-14-4-2-8-18(11-14)12-16-6-3-9-19(16)15-5-1-7-17-10-15/h1,3,5-7,9-10,14,20H,2,4,8,11-13H2/t14-/m1/s1
InChIKeyWJIKCWUJUHFSAM-CQSZACIVSA-N
XLogP2.08
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(9aS)-2-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 50965676
[(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol
CID 95857163
(4-methylsulfanylphenyl)-[(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanone
CID 25275190
(3S,4S)-4-(4-fluorophenyl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-ol
CID 50985534
[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanol
CID 63262723
[4-(oxan-2-ylmethyl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]methanol
CID 45195451
(3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide
CID 42526517
[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
CID 110225897
methyl 5-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50970434
2-[(2R)-1-[(2-fluorophenyl)methyl]-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol
CID 29086694
(4aS,8aR)-1-(2-aminoethyl)-6-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one;dihydrochloride
CID 154889170
2-[1-[(5-methylfuran-2-yl)methyl]-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol
CID 45229158

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanol (CID 95857174) is [(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanol is OC[C@@H]1CCCN(Cc2cccn2-c2cccnc2)C1.
What is the InChIKey of [(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is WJIKCWUJUHFSAM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3O/c20-13-14-4-2-8-18(11-14)12-16-6-3-9-19(16)15-5-1-7-17-10-15/h1,3,5-7,9-10,14,20H,2,4,8,11-13H2/t14-/m1/s1.
What are the key properties of [(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanol?
[(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 271.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 95857174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).