(1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol

C15H23NO2 — CID 113359067

IUPAC(1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N1CCC(C(C)O)C1
InChIInChI=1S/C15H23NO2/c1-3-15(18)13-6-4-5-7-14(13)16-9-8-12(10-16)11(2)17/h4-7,11-12,15,17-18H,3,8-10H2,1-2H3/t11?,12?,15-/m1/s1
InChIKeyPUFCADGNXZWBER-KOHJWAIASA-N
MW249.35 g/mol
LogP2.34
Rot. Bonds4

About (1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol

(1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol (PubChem CID 113359067) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
PubChem CID113359067
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N1CCC(C(C)O)C1
InChIInChI=1S/C15H23NO2/c1-3-15(18)13-6-4-5-7-14(13)16-9-8-12(10-16)11(2)17/h4-7,11-12,15,17-18H,3,8-10H2,1-2H3/t11?,12?,15-/m1/s1
InChIKeyPUFCADGNXZWBER-KOHJWAIASA-N
XLogP2.34
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 106836517
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 114798372
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678761
(1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol
CID 103959777
1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678826
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 102959935
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
2-[(3S)-3-[(1S)-1-hydroxyethyl]pyrrolidin-1-yl]benzoic acid
CID 129393692
(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol
CID 103959921
(1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol
CID 103960194
(1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 103960219
1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 115995985

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol (CID 113359067) is (1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1N1CCC(C(C)O)C1.
What is the InChIKey of (1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol?
The InChIKey is PUFCADGNXZWBER-KOHJWAIASA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-15(18)13-6-4-5-7-14(13)16-9-8-12(10-16)11(2)17/h4-7,11-12,15,17-18H,3,8-10H2,1-2H3/t11?,12?,15-/m1/s1.
What are the key properties of (1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol?
(1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol is sourced from PubChem (CID 113359067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).