1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine

C17H26N2 — CID 150704826

IUPAC1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine
SMILESCN1CCC(Cc2ccccc2[C@H]2CCCN2)CC1
InChIInChI=1S/C17H26N2/c1-19-11-8-14(9-12-19)13-15-5-2-3-6-16(15)17-7-4-10-18-17/h2-3,5-6,14,17-18H,4,7-13H2,1H3/t17-/m1/s1
InChIKeyJMQHYDHSOZBHDX-QGZVFWFLSA-N
MW258.41 g/mol
LogP3.00
Rot. Bonds3

About 1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine

1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine (PubChem CID 150704826) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine
PubChem CID150704826
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine
SMILESCN1CCC(Cc2ccccc2[C@H]2CCCN2)CC1
InChIInChI=1S/C17H26N2/c1-19-11-8-14(9-12-19)13-15-5-2-3-6-16(15)17-7-4-10-18-17/h2-3,5-6,14,17-18H,4,7-13H2,1H3/t17-/m1/s1
InChIKeyJMQHYDHSOZBHDX-QGZVFWFLSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine?
The IUPAC name of 1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine (CID 150704826) is 1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine.
What is the SMILES notation for 1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine?
The canonical SMILES for 1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine is CN1CCC(Cc2ccccc2[C@H]2CCCN2)CC1.
What is the InChIKey of 1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine?
The InChIKey is JMQHYDHSOZBHDX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N2/c1-19-11-8-14(9-12-19)13-15-5-2-3-6-16(15)17-7-4-10-18-17/h2-3,5-6,14,17-18H,4,7-13H2,1H3/t17-/m1/s1.
What are the key properties of 1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine?
1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine has a molecular weight of 258.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine is sourced from PubChem (CID 150704826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).