1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine

C16H24N2 — CID 71930473

IUPAC1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
SMILESc1ccc(CN2CCC(CN3CCCC3)C2)cc1
InChIInChI=1S/C16H24N2/c1-2-6-15(7-3-1)12-18-11-8-16(14-18)13-17-9-4-5-10-17/h1-3,6-7,16H,4-5,8-14H2
InChIKeyLDDZSDKWHKWEAK-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.60
Rot. Bonds4

About 1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine

1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine (PubChem CID 71930473) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
PubChem CID71930473
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
SMILESc1ccc(CN2CCC(CN3CCCC3)C2)cc1
InChIInChI=1S/C16H24N2/c1-2-6-15(7-3-1)12-18-11-8-16(14-18)13-17-9-4-5-10-17/h1-3,6-7,16H,4-5,8-14H2
InChIKeyLDDZSDKWHKWEAK-UHFFFAOYSA-N
XLogP2.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene
CID 142015532
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
1-benzyl-3-ethylpyrrolidine
CID 12648208
(1-benzylazepan-3-yl)methanamine
CID 15718476
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
1-benzyl-3-propylpyrrolidine
CID 12648211
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
3-benzyl-5-[[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 164639430
9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
CID 91830355
1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine
CID 77081012
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
(3R)-1-benzylazepan-3-ol
CID 124585423

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine?
The IUPAC name of 1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine (CID 71930473) is 1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine.
What is the SMILES notation for 1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine?
The canonical SMILES for 1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine is c1ccc(CN2CCC(CN3CCCC3)C2)cc1.
What is the InChIKey of 1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine?
The InChIKey is LDDZSDKWHKWEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-6-15(7-3-1)12-18-11-8-16(14-18)13-17-9-4-5-10-17/h1-3,6-7,16H,4-5,8-14H2.
What are the key properties of 1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine?
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine has a molecular weight of 244.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 71930473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).