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

C17H26N2 — CID 117400051

IUPAC1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine
SMILESCC1(c2ccccc2CN2CCCCC2)CCCN1
InChIInChI=1S/C17H26N2/c1-17(10-7-11-18-17)16-9-4-3-8-15(16)14-19-12-5-2-6-13-19/h3-4,8-9,18H,2,5-7,10-14H2,1H3
InChIKeyPOIVJZOXHQCUDS-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.27
Rot. Bonds3

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

1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine (PubChem CID 117400051) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine
PubChem CID117400051
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine
SMILESCC1(c2ccccc2CN2CCCCC2)CCCN1
InChIInChI=1S/C17H26N2/c1-17(10-7-11-18-17)16-9-4-3-8-15(16)14-19-12-5-2-6-13-19/h3-4,8-9,18H,2,5-7,10-14H2,1H3
InChIKeyPOIVJZOXHQCUDS-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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Related Compounds

1-[[3-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine
CID 117400052
2-(2-bromophenyl)-2-methylpyrrolidine
CID 82621906
N-methyl-1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methoxy]methanamine;molecular hydrogen
CID 166157744
1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine
CID 117111632
2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine
CID 117388194
1-[2-methoxy-3-(2-methylpyrrolidin-2-yl)phenyl]-N,N-dimethylmethanamine
CID 115004398
2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117320154
[1-[2-(piperazin-1-ylmethyl)phenyl]cyclopropyl]methanol
CID 117111651
1-[(2-chlorophenyl)methyl]-3-cyclopropyl-3-methyl-1,4-diazepane
CID 64871685
1-benzyl-4,4-dimethyl-1,5-diazocane
CID 117014627
1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone
CID 124704358
1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine
CID 82026995

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine?
The IUPAC name of 1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine (CID 117400051) is 1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine?
The canonical SMILES for 1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine is CC1(c2ccccc2CN2CCCCC2)CCCN1.
What is the InChIKey of 1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine?
The InChIKey is POIVJZOXHQCUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-17(10-7-11-18-17)16-9-4-3-8-15(16)14-19-12-5-2-6-13-19/h3-4,8-9,18H,2,5-7,10-14H2,1H3.
What are the key properties of 1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine?
1-[[2-(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-[[2-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine is sourced from PubChem (CID 117400051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).