1-(1-benzhydrylazetidin-3-yl)pyrrolidine;pyrrolidine

C24H33N3 — CID 160596088

IUPAC1-(1-benzhydrylazetidin-3-yl)pyrrolidine;pyrrolidine
SMILESC1CCNC1.c1ccc(C(c2ccccc2)N2CC(N3CCCC3)C2)cc1
InChIInChI=1S/C20H24N2.C4H9N/c1-3-9-17(10-4-1)20(18-11-5-2-6-12-18)22-15-19(16-22)21-13-7-8-14-21;1-2-4-5-3-1/h1-6,9-12,19-20H,7-8,13-16H2;5H,1-4H2
InChIKeyRDQNVACAYYWQOU-UHFFFAOYSA-N
MW363.55 g/mol
LogP3.93
Rot. Bonds4

About 1-(1-benzhydrylazetidin-3-yl)pyrrolidine;pyrrolidine

1-(1-benzhydrylazetidin-3-yl)pyrrolidine;pyrrolidine (PubChem CID 160596088) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is 1-(1-benzhydrylazetidin-3-yl)pyrrolidine;pyrrolidine.

Molecular Properties

Compound Name1-(1-benzhydrylazetidin-3-yl)pyrrolidine;pyrrolidine
PubChem CID160596088
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC Name1-(1-benzhydrylazetidin-3-yl)pyrrolidine;pyrrolidine
SMILESC1CCNC1.c1ccc(C(c2ccccc2)N2CC(N3CCCC3)C2)cc1
InChIInChI=1S/C20H24N2.C4H9N/c1-3-9-17(10-4-1)20(18-11-5-2-6-12-18)22-15-19(16-22)21-13-7-8-14-21;1-2-4-5-3-1/h1-6,9-12,19-20H,7-8,13-16H2;5H,1-4H2
InChIKeyRDQNVACAYYWQOU-UHFFFAOYSA-N
XLogP3.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-benzhydrylazetidin-3-yl)-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide
CID 159994919
1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine
CID 21184137
1-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane
CID 90779796
1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine
CID 21183788
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;1-[(R)-(4-chlorophenyl)-phenylmethyl]piperidine;methane
CID 160506934
1-[(3-bromophenyl)-phenylmethyl]-1,4-diazepane
CID 3457794
1-[phenyl(pyridin-4-yl)methyl]piperazine
CID 5035634
(1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone
CID 131875139
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane
CID 3838263
1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine
CID 66202032
(4aS,7aS)-6-benzhydryl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 67445491

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzhydrylazetidin-3-yl)pyrrolidine;pyrrolidine?
The IUPAC name of 1-(1-benzhydrylazetidin-3-yl)pyrrolidine;pyrrolidine (CID 160596088) is 1-(1-benzhydrylazetidin-3-yl)pyrrolidine;pyrrolidine.
What is the SMILES notation for 1-(1-benzhydrylazetidin-3-yl)pyrrolidine;pyrrolidine?
The canonical SMILES for 1-(1-benzhydrylazetidin-3-yl)pyrrolidine;pyrrolidine is C1CCNC1.c1ccc(C(c2ccccc2)N2CC(N3CCCC3)C2)cc1.
What is the InChIKey of 1-(1-benzhydrylazetidin-3-yl)pyrrolidine;pyrrolidine?
The InChIKey is RDQNVACAYYWQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2.C4H9N/c1-3-9-17(10-4-1)20(18-11-5-2-6-12-18)22-15-19(16-22)21-13-7-8-14-21;1-2-4-5-3-1/h1-6,9-12,19-20H,7-8,13-16H2;5H,1-4H2.
What are the key properties of 1-(1-benzhydrylazetidin-3-yl)pyrrolidine;pyrrolidine?
1-(1-benzhydrylazetidin-3-yl)pyrrolidine;pyrrolidine has a molecular weight of 363.55 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzhydrylazetidin-3-yl)pyrrolidine;pyrrolidine is sourced from PubChem (CID 160596088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).