1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol

C14H22N2O — CID 113321893

IUPAC1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCc1cccc(CN2CCCC2CC(C)O)n1
InChIInChI=1S/C14H22N2O/c1-11-5-3-6-13(15-11)10-16-8-4-7-14(16)9-12(2)17/h3,5-6,12,14,17H,4,7-10H2,1-2H3
InChIKeyNATJGKDUELRSME-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.13
Rot. Bonds4

About 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol

1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 113321893) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
PubChem CID113321893
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCc1cccc(CN2CCCC2CC(C)O)n1
InChIInChI=1S/C14H22N2O/c1-11-5-3-6-13(15-11)10-16-8-4-7-14(16)9-12(2)17/h3,5-6,12,14,17H,4,7-10H2,1-2H3
InChIKeyNATJGKDUELRSME-UHFFFAOYSA-N
XLogP2.13
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 115771061
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758703
1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321883
1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile
CID 79267259
2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 71869510
N-[[4-[(6-methyl-2-pyridinyl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83100188
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338091
1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 115883125
6-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 112748720
1-[1-(1,3-benzothiazol-2-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758778
(1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 100859490
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758818

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol (CID 113321893) is 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol is Cc1cccc(CN2CCCC2CC(C)O)n1.
What is the InChIKey of 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is NATJGKDUELRSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-5-3-6-13(15-11)10-16-8-4-7-14(16)9-12(2)17/h3,5-6,12,14,17H,4,7-10H2,1-2H3.
What are the key properties of 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol?
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 113321893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).