(3R)-3-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanenitrile

C14H25N3 — CID 99847353

IUPAC(3R)-3-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanenitrile
SMILESC[C@H](CC#N)N1CC[C@@H](CN2CCCCC2)C1
InChIInChI=1S/C14H25N3/c1-13(5-7-15)17-10-6-14(12-17)11-16-8-3-2-4-9-16/h13-14H,2-6,8-12H2,1H3/t13-,14+/m1/s1
InChIKeyOZDBRHIAFNOZLX-KGLIPLIRSA-N
MW235.37 g/mol
LogP2.10
Rot. Bonds4

About (3R)-3-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanenitrile

(3R)-3-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanenitrile (PubChem CID 99847353) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is (3R)-3-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanenitrile.

Molecular Properties

Compound Name(3R)-3-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanenitrile
PubChem CID99847353
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name(3R)-3-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanenitrile
SMILESC[C@H](CC#N)N1CC[C@@H](CN2CCCCC2)C1
InChIInChI=1S/C14H25N3/c1-13(5-7-15)17-10-6-14(12-17)11-16-8-3-2-4-9-16/h13-14H,2-6,8-12H2,1H3/t13-,14+/m1/s1
InChIKeyOZDBRHIAFNOZLX-KGLIPLIRSA-N
XLogP2.10
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanenitrile?
The IUPAC name of (3R)-3-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanenitrile (CID 99847353) is (3R)-3-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanenitrile.
What is the SMILES notation for (3R)-3-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanenitrile?
The canonical SMILES for (3R)-3-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanenitrile is C[C@H](CC#N)N1CC[C@@H](CN2CCCCC2)C1.
What is the InChIKey of (3R)-3-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanenitrile?
The InChIKey is OZDBRHIAFNOZLX-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H25N3/c1-13(5-7-15)17-10-6-14(12-17)11-16-8-3-2-4-9-16/h13-14H,2-6,8-12H2,1H3/t13-,14+/m1/s1.
What are the key properties of (3R)-3-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanenitrile?
(3R)-3-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanenitrile has a molecular weight of 235.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanenitrile is sourced from PubChem (CID 99847353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).