3,4-dimethyl-1-[(2-propylpyrrolidin-2-yl)methyl]piperidine

C15H30N2 — CID 106976543

IUPAC3,4-dimethyl-1-[(2-propylpyrrolidin-2-yl)methyl]piperidine
SMILESCCCC1(CN2CCC(C)C(C)C2)CCCN1
InChIInChI=1S/C15H30N2/c1-4-7-15(8-5-9-16-15)12-17-10-6-13(2)14(3)11-17/h13-14,16H,4-12H2,1-3H3
InChIKeyYVWANCANEKKTIS-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds4

About 3,4-dimethyl-1-[(2-propylpyrrolidin-2-yl)methyl]piperidine

3,4-dimethyl-1-[(2-propylpyrrolidin-2-yl)methyl]piperidine (PubChem CID 106976543) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3,4-dimethyl-1-[(2-propylpyrrolidin-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3,4-dimethyl-1-[(2-propylpyrrolidin-2-yl)methyl]piperidine
PubChem CID106976543
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3,4-dimethyl-1-[(2-propylpyrrolidin-2-yl)methyl]piperidine
SMILESCCCC1(CN2CCC(C)C(C)C2)CCCN1
InChIInChI=1S/C15H30N2/c1-4-7-15(8-5-9-16-15)12-17-10-6-13(2)14(3)11-17/h13-14,16H,4-12H2,1-3H3
InChIKeyYVWANCANEKKTIS-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[(2-propylpyrrolidin-2-yl)methyl]piperidine?
The IUPAC name of 3,4-dimethyl-1-[(2-propylpyrrolidin-2-yl)methyl]piperidine (CID 106976543) is 3,4-dimethyl-1-[(2-propylpyrrolidin-2-yl)methyl]piperidine.
What is the SMILES notation for 3,4-dimethyl-1-[(2-propylpyrrolidin-2-yl)methyl]piperidine?
The canonical SMILES for 3,4-dimethyl-1-[(2-propylpyrrolidin-2-yl)methyl]piperidine is CCCC1(CN2CCC(C)C(C)C2)CCCN1.
What is the InChIKey of 3,4-dimethyl-1-[(2-propylpyrrolidin-2-yl)methyl]piperidine?
The InChIKey is YVWANCANEKKTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-7-15(8-5-9-16-15)12-17-10-6-13(2)14(3)11-17/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-[(2-propylpyrrolidin-2-yl)methyl]piperidine?
3,4-dimethyl-1-[(2-propylpyrrolidin-2-yl)methyl]piperidine has a molecular weight of 238.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[(2-propylpyrrolidin-2-yl)methyl]piperidine is sourced from PubChem (CID 106976543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).