1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol

C20H32N2O2 — CID 110019767

IUPAC1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccccc2CN2CCC(C(C)O)C2)C1
InChIInChI=1S/C20H32N2O2/c1-15(23)17-7-9-21(11-17)13-19-5-3-4-6-20(19)14-22-10-8-18(12-22)16(2)24/h3-6,15-18,23-24H,7-14H2,1-2H3
InChIKeySKSIRPFHCJJUBL-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.09
Rot. Bonds6

About 1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol

1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 110019767) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID110019767
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccccc2CN2CCC(C(C)O)C2)C1
InChIInChI=1S/C20H32N2O2/c1-15(23)17-7-9-21(11-17)13-19-5-3-4-6-20(19)14-22-10-8-18(12-22)16(2)24/h3-6,15-18,23-24H,7-14H2,1-2H3
InChIKeySKSIRPFHCJJUBL-UHFFFAOYSA-N
XLogP2.09
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol with MolForge

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Related Compounds

(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110022688
(E)-3-[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enoic acid
CID 115966742
1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115967098
1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111113750
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 106869306
3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 110019820
1-[1-[[2-(methoxymethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975618
1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol
CID 110020364
1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115966906
1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 110019975
1-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]benzo[f]chromen-3-one
CID 110020186

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol (CID 110019767) is 1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(Cc2ccccc2CN2CCC(C(C)O)C2)C1.
What is the InChIKey of 1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is SKSIRPFHCJJUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-15(23)17-7-9-21(11-17)13-19-5-3-4-6-20(19)14-22-10-8-18(12-22)16(2)24/h3-6,15-18,23-24H,7-14H2,1-2H3.
What are the key properties of 1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol?
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 332.49 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 110019767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).