(3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol

C15H24N2O — CID 133113656

IUPAC(3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol
SMILESCN(C)[C@@H]1CN(CCCc2ccccc2)C[C@H]1O
InChIInChI=1S/C15H24N2O/c1-16(2)14-11-17(12-15(14)18)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-15,18H,6,9-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyUNSGWYVHFLAKMS-HUUCEWRRSA-N
MW248.37 g/mol
LogP1.23
Rot. Bonds5

About (3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol

(3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol (PubChem CID 133113656) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol
PubChem CID133113656
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol
SMILESCN(C)[C@@H]1CN(CCCc2ccccc2)C[C@H]1O
InChIInChI=1S/C15H24N2O/c1-16(2)14-11-17(12-15(14)18)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-15,18H,6,9-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyUNSGWYVHFLAKMS-HUUCEWRRSA-N
XLogP1.23
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylbutyl)azetidin-3-ol
CID 114334514
(3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine
CID 118550630
(3S,4S)-4-(dimethylamino)-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-ol
CID 77083296
9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol
CID 57036225
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
N-[3-[3,5-dimethyl-4-(3-phenylpropyl)piperazin-1-yl]propyl]-N-phenylaniline;hydrochloride
CID 68629059
2-[[(3S,4R)-1-[2-(benzenesulfonyl)ethyl]-4-hydroxypyrrolidin-3-yl]-methylamino]acetic acid
CID 129325506
4-[(3aS)-2-(3-phenylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methyl-4-oxobutanamide
CID 173143227
1-[(1R,5S)-3-(3-phenylpropyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
CID 133134564
N,N-diethyl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 795749
(5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine
CID 58747936
[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methanol
CID 10966412

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol (CID 133113656) is (3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol is CN(C)[C@@H]1CN(CCCc2ccccc2)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol?
The InChIKey is UNSGWYVHFLAKMS-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16(2)14-11-17(12-15(14)18)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-15,18H,6,9-12H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol?
(3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol has a molecular weight of 248.37 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 133113656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).