[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol

C11H16N2O — CID 42127568

IUPAC[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1Cc1ccncc1
InChIInChI=1S/C11H16N2O/c14-9-11-2-1-7-13(11)8-10-3-5-12-6-4-10/h3-6,11,14H,1-2,7-9H2/t11-/m0/s1
InChIKeyAKDGQRVXDUMDFH-NSHDSACASA-N
MW192.26 g/mol
LogP1.04
Rot. Bonds3

About [(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol

[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 42127568) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is [(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
PubChem CID42127568
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1Cc1ccncc1
InChIInChI=1S/C11H16N2O/c14-9-11-2-1-7-13(11)8-10-3-5-12-6-4-10/h3-6,11,14H,1-2,7-9H2/t11-/m0/s1
InChIKeyAKDGQRVXDUMDFH-NSHDSACASA-N
XLogP1.04
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(pyridin-4-ylmethyl)azepan-2-yl]methanol
CID 116637584
4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63386661
[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methanol
CID 60649309
[1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol
CID 116637315
[(2S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 42127618
[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 60582294
[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl acetate
CID 139716822
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 111858547
[1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol
CID 115882282
[1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 82247848
[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 75467118
[1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407185

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol (CID 42127568) is [(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1Cc1ccncc1.
What is the InChIKey of [(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is AKDGQRVXDUMDFH-NSHDSACASA-N. The full InChI is InChI=1S/C11H16N2O/c14-9-11-2-1-7-13(11)8-10-3-5-12-6-4-10/h3-6,11,14H,1-2,7-9H2/t11-/m0/s1.
What are the key properties of [(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol has a molecular weight of 192.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 42127568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).