2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile

C16H29N3 — CID 65251719

IUPAC2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
SMILESCC(C)(C#N)CCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H29N3/c1-16(2,14-17)7-12-18-10-5-15(6-11-18)13-19-8-3-4-9-19/h15H,3-13H2,1-2H3
InChIKeyPIZOZAWCCOLNJS-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.73
Rot. Bonds5

About 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile

2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile (PubChem CID 65251719) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
PubChem CID65251719
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
SMILESCC(C)(C#N)CCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H29N3/c1-16(2,14-17)7-12-18-10-5-15(6-11-18)13-19-8-3-4-9-19/h15H,3-13H2,1-2H3
InChIKeyPIZOZAWCCOLNJS-UHFFFAOYSA-N
XLogP2.73
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile?
The IUPAC name of 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile (CID 65251719) is 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile is CC(C)(C#N)CCN1CCC(CN2CCCC2)CC1.
What is the InChIKey of 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile?
The InChIKey is PIZOZAWCCOLNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-16(2,14-17)7-12-18-10-5-15(6-11-18)13-19-8-3-4-9-19/h15H,3-13H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile?
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile has a molecular weight of 263.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile is sourced from PubChem (CID 65251719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).