(3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine

C17H26N2 — CID 170687976

IUPAC(3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine
SMILESCC(C)N1CC[C@@H](c2cccc(N3CCCC3)c2)C1
InChIInChI=1S/C17H26N2/c1-14(2)19-11-8-16(13-19)15-6-5-7-17(12-15)18-9-3-4-10-18/h5-7,12,14,16H,3-4,8-11,13H2,1-2H3/t16-/m1/s1
InChIKeyDARMHYKVEHMUOG-MRXNPFEDSA-N
MW258.41 g/mol
LogP3.48
Rot. Bonds3

About (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine

(3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine (PubChem CID 170687976) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine
PubChem CID170687976
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine
SMILESCC(C)N1CC[C@@H](c2cccc(N3CCCC3)c2)C1
InChIInChI=1S/C17H26N2/c1-14(2)19-11-8-16(13-19)15-6-5-7-17(12-15)18-9-3-4-10-18/h5-7,12,14,16H,3-4,8-11,13H2,1-2H3/t16-/m1/s1
InChIKeyDARMHYKVEHMUOG-MRXNPFEDSA-N
XLogP3.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
1-[3-(4,4-dimethylcyclohexyl)phenyl]pyrrolidine
CID 141117958
3-naphthalen-2-yl-1-propan-2-ylpyrrolidine
CID 70971657
1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine
CID 156851276
1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine
CID 170687978
(3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine
CID 166826823
3-(1-propan-2-ylazepan-4-yl)phenol
CID 143519435
1-(3-cyclobutylphenyl)piperidin-4-amine
CID 114605607
1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(3-pyrrolidin-1-ylphenyl)piperidine
CID 158792261
(3R)-3-[3-[2-(3-methyl-3-phenylazetidin-1-yl)propyl]phenyl]-1-propan-2-ylpyrrolidine
CID 170207669
4-(1-propan-2-ylpiperidin-3-yl)benzene-1,2-diol;hydrobromide
CID 3046379
(2R)-4-propan-2-yl-2-(4-pyrrolidin-1-ylphenyl)morpholine
CID 170687921

Frequently Asked Questions

What is the IUPAC name of (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine?
The IUPAC name of (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine (CID 170687976) is (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine.
What is the SMILES notation for (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine?
The canonical SMILES for (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine is CC(C)N1CC[C@@H](c2cccc(N3CCCC3)c2)C1.
What is the InChIKey of (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine?
The InChIKey is DARMHYKVEHMUOG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N2/c1-14(2)19-11-8-16(13-19)15-6-5-7-17(12-15)18-9-3-4-10-18/h5-7,12,14,16H,3-4,8-11,13H2,1-2H3/t16-/m1/s1.
What are the key properties of (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine?
(3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine has a molecular weight of 258.41 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine is sourced from PubChem (CID 170687976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).