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

C17H26N2 — CID 117400052

IUPAC1-[[3-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine
SMILESCC1(c2cccc(CN3CCCCC3)c2)CCCN1
InChIInChI=1S/C17H26N2/c1-17(9-6-10-18-17)16-8-5-7-15(13-16)14-19-11-3-2-4-12-19/h5,7-8,13,18H,2-4,6,9-12,14H2,1H3
InChIKeyHVBHKKWTXHCRER-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.27
Rot. Bonds3

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

1-[[3-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine (PubChem CID 117400052) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[[3-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[3-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine
PubChem CID117400052
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[[3-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine
SMILESCC1(c2cccc(CN3CCCCC3)c2)CCCN1
InChIInChI=1S/C17H26N2/c1-17(9-6-10-18-17)16-8-5-7-15(13-16)14-19-11-3-2-4-12-19/h5,7-8,13,18H,2-4,6,9-12,14H2,1H3
InChIKeyHVBHKKWTXHCRER-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine?
The IUPAC name of 1-[[3-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine (CID 117400052) is 1-[[3-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[3-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine?
The canonical SMILES for 1-[[3-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine is CC1(c2cccc(CN3CCCCC3)c2)CCCN1.
What is the InChIKey of 1-[[3-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine?
The InChIKey is HVBHKKWTXHCRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-17(9-6-10-18-17)16-8-5-7-15(13-16)14-19-11-3-2-4-12-19/h5,7-8,13,18H,2-4,6,9-12,14H2,1H3.
What are the key properties of 1-[[3-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine?
1-[[3-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine has a molecular weight of 258.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine is sourced from PubChem (CID 117400052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).