1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine

C16H24N2 — CID 13041716

IUPAC1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine
SMILESc1cc(CN2CCCC2)ccc1CN1CCCC1
InChIInChI=1S/C16H24N2/c1-2-10-17(9-1)13-15-5-7-16(8-6-15)14-18-11-3-4-12-18/h5-8H,1-4,9-14H2
InChIKeyUUWWWUFTIZNUNF-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.88
Rot. Bonds4

About 1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine

1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine (PubChem CID 13041716) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine
PubChem CID13041716
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine
SMILESc1cc(CN2CCCC2)ccc1CN1CCCC1
InChIInChI=1S/C16H24N2/c1-2-10-17(9-1)13-15-5-7-16(8-6-15)14-18-11-3-4-12-18/h5-8H,1-4,9-14H2
InChIKeyUUWWWUFTIZNUNF-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine (CID 13041716) is 1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine is c1cc(CN2CCCC2)ccc1CN1CCCC1.
What is the InChIKey of 1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine?
The InChIKey is UUWWWUFTIZNUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-10-17(9-1)13-15-5-7-16(8-6-15)14-18-11-3-4-12-18/h5-8H,1-4,9-14H2.
What are the key properties of 1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine?
1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine has a molecular weight of 244.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 13041716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).