1-(3-anilinopyrrolidin-1-yl)butan-2-ol

C14H22N2O — CID 111544263

IUPAC1-(3-anilinopyrrolidin-1-yl)butan-2-ol
SMILESCCC(O)CN1CCC(Nc2ccccc2)C1
InChIInChI=1S/C14H22N2O/c1-2-14(17)11-16-9-8-13(10-16)15-12-6-4-3-5-7-12/h3-7,13-15,17H,2,8-11H2,1H3
InChIKeyGCGKOATWUKQOPB-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.94
Rot. Bonds5

About 1-(3-anilinopyrrolidin-1-yl)butan-2-ol

1-(3-anilinopyrrolidin-1-yl)butan-2-ol (PubChem CID 111544263) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(3-anilinopyrrolidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(3-anilinopyrrolidin-1-yl)butan-2-ol
PubChem CID111544263
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(3-anilinopyrrolidin-1-yl)butan-2-ol
SMILESCCC(O)CN1CCC(Nc2ccccc2)C1
InChIInChI=1S/C14H22N2O/c1-2-14(17)11-16-9-8-13(10-16)15-12-6-4-3-5-7-12/h3-7,13-15,17H,2,8-11H2,1H3
InChIKeyGCGKOATWUKQOPB-UHFFFAOYSA-N
XLogP1.94
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylamino)pyrrolidin-1-yl]butan-2-ol
CID 115300562
2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide
CID 102555895
1-(4-benzylpiperazin-1-yl)butan-2-ol
CID 60885718
[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone
CID 111487256
1-[4-(ethylamino)piperidin-1-yl]butan-2-ol
CID 60883910
1-(4-benzhydrylpiperazin-1-yl)butan-2-ol
CID 20795195
1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea
CID 97328121
1-[1-(2-hydroxybutyl)piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 20598464
N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine
CID 154333311
N-(1-ethylpyrrolidin-3-yl)pyridin-4-amine
CID 131114952
1-(3-ethylpyrrolidin-1-yl)butan-2-ol
CID 115688740
2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol
CID 111457377

Frequently Asked Questions

What is the IUPAC name of 1-(3-anilinopyrrolidin-1-yl)butan-2-ol?
The IUPAC name of 1-(3-anilinopyrrolidin-1-yl)butan-2-ol (CID 111544263) is 1-(3-anilinopyrrolidin-1-yl)butan-2-ol.
What is the SMILES notation for 1-(3-anilinopyrrolidin-1-yl)butan-2-ol?
The canonical SMILES for 1-(3-anilinopyrrolidin-1-yl)butan-2-ol is CCC(O)CN1CCC(Nc2ccccc2)C1.
What is the InChIKey of 1-(3-anilinopyrrolidin-1-yl)butan-2-ol?
The InChIKey is GCGKOATWUKQOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-14(17)11-16-9-8-13(10-16)15-12-6-4-3-5-7-12/h3-7,13-15,17H,2,8-11H2,1H3.
What are the key properties of 1-(3-anilinopyrrolidin-1-yl)butan-2-ol?
1-(3-anilinopyrrolidin-1-yl)butan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-anilinopyrrolidin-1-yl)butan-2-ol is sourced from PubChem (CID 111544263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).