2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol

C20H27N3O — CID 75426168

IUPAC2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol
SMILESCCC(CO)(NCc1ccc(N2CCCC2)nc1)c1ccccc1
InChIInChI=1S/C20H27N3O/c1-2-20(16-24,18-8-4-3-5-9-18)22-15-17-10-11-19(21-14-17)23-12-6-7-13-23/h3-5,8-11,14,22,24H,2,6-7,12-13,15-16H2,1H3
InChIKeyKJRWJLWADLDAMF-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.07
Rot. Bonds7

About 2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol

2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol (PubChem CID 75426168) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol
PubChem CID75426168
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol
SMILESCCC(CO)(NCc1ccc(N2CCCC2)nc1)c1ccccc1
InChIInChI=1S/C20H27N3O/c1-2-20(16-24,18-8-4-3-5-9-18)22-15-17-10-11-19(21-14-17)23-12-6-7-13-23/h3-5,8-11,14,22,24H,2,6-7,12-13,15-16H2,1H3
InChIKeyKJRWJLWADLDAMF-UHFFFAOYSA-N
XLogP3.07
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid
CID 122128887
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
CID 75379570
1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 167851736
2-amino-2-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 119399543
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 55745613
2-methyl-1-(2-phenylethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111135667
(2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid
CID 120511564
2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
CID 109380363
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119846505

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol?
The IUPAC name of 2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol (CID 75426168) is 2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol.
What is the SMILES notation for 2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol?
The canonical SMILES for 2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol is CCC(CO)(NCc1ccc(N2CCCC2)nc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol?
The InChIKey is KJRWJLWADLDAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-2-20(16-24,18-8-4-3-5-9-18)22-15-17-10-11-19(21-14-17)23-12-6-7-13-23/h3-5,8-11,14,22,24H,2,6-7,12-13,15-16H2,1H3.
What are the key properties of 2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol?
2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol has a molecular weight of 325.46 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol is sourced from PubChem (CID 75426168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).