2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol

C13H19ClN2O — CID 131912751

IUPAC2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2cnccc2Cl)C1
InChIInChI=1S/C13H19ClN2O/c1-13(2,17)11-4-6-16(9-11)8-10-7-15-5-3-12(10)14/h3,5,7,11,17H,4,6,8-9H2,1-2H3
InChIKeyVKYOSSBVNBHGJN-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.33
Rot. Bonds3

About 2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol

2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol (PubChem CID 131912751) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol
PubChem CID131912751
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2cnccc2Cl)C1
InChIInChI=1S/C13H19ClN2O/c1-13(2,17)11-4-6-16(9-11)8-10-7-15-5-3-12(10)14/h3,5,7,11,17H,4,6,8-9H2,1-2H3
InChIKeyVKYOSSBVNBHGJN-UHFFFAOYSA-N
XLogP2.33
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol
CID 172900561
(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol
CID 79031489
4-[(4-chloro-3-pyridinyl)methyl]morpholine
CID 66998174
2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 131889268
3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine
CID 114682329
(1S,9R)-12-[(4-chloro-3-pyridinyl)methyl]-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 118761249
2-tert-butyl-6-[(4-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913718
2-[1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol
CID 131932947
4-[(3-tert-butylpyrrolidin-1-yl)methyl]-3-chlorobenzoic acid
CID 102670024
2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol
CID 131925071
1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride
CID 119914421
1-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 99929054

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol?
The IUPAC name of 2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol (CID 131912751) is 2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol is CC(C)(O)C1CCN(Cc2cnccc2Cl)C1.
What is the InChIKey of 2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol?
The InChIKey is VKYOSSBVNBHGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-13(2,17)11-4-6-16(9-11)8-10-7-15-5-3-12(10)14/h3,5,7,11,17H,4,6,8-9H2,1-2H3.
What are the key properties of 2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol?
2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol has a molecular weight of 254.76 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 131912751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).