4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine

C18H28N2 — CID 155201567

IUPAC4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine
SMILESCc1ccc(C2CCNCC2)c(CC2CCN(C)C2)c1
InChIInChI=1S/C18H28N2/c1-14-3-4-18(16-5-8-19-9-6-16)17(11-14)12-15-7-10-20(2)13-15/h3-4,11,15-16,19H,5-10,12-13H2,1-2H3
InChIKeyFBPDPJDZFHCMIG-UHFFFAOYSA-N
MW272.44 g/mol
LogP2.96
Rot. Bonds3

About 4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine

4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine (PubChem CID 155201567) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine.

Molecular Properties

Compound Name4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine
PubChem CID155201567
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine
SMILESCc1ccc(C2CCNCC2)c(CC2CCN(C)C2)c1
InChIInChI=1S/C18H28N2/c1-14-3-4-18(16-5-8-19-9-6-16)17(11-14)12-15-7-10-20(2)13-15/h3-4,11,15-16,19H,5-10,12-13H2,1-2H3
InChIKeyFBPDPJDZFHCMIG-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine?
The IUPAC name of 4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine (CID 155201567) is 4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine.
What is the SMILES notation for 4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine?
The canonical SMILES for 4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine is Cc1ccc(C2CCNCC2)c(CC2CCN(C)C2)c1.
What is the InChIKey of 4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine?
The InChIKey is FBPDPJDZFHCMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-3-4-18(16-5-8-19-9-6-16)17(11-14)12-15-7-10-20(2)13-15/h3-4,11,15-16,19H,5-10,12-13H2,1-2H3.
What are the key properties of 4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine?
4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine has a molecular weight of 272.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine is sourced from PubChem (CID 155201567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).