1-[(2-piperidin-2-ylphenyl)methyl]piperidine

C17H26N2 — CID 117400046

IUPAC1-[(2-piperidin-2-ylphenyl)methyl]piperidine
SMILESc1ccc(C2CCCCN2)c(CN2CCCCC2)c1
InChIInChI=1S/C17H26N2/c1-6-12-19(13-7-1)14-15-8-2-3-9-16(15)17-10-4-5-11-18-17/h2-3,8-9,17-18H,1,4-7,10-14H2
InChIKeyKOUKADWYQPMXNN-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.49
Rot. Bonds3

About 1-[(2-piperidin-2-ylphenyl)methyl]piperidine

1-[(2-piperidin-2-ylphenyl)methyl]piperidine (PubChem CID 117400046) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[(2-piperidin-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2-piperidin-2-ylphenyl)methyl]piperidine
PubChem CID117400046
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[(2-piperidin-2-ylphenyl)methyl]piperidine
SMILESc1ccc(C2CCCCN2)c(CN2CCCCC2)c1
InChIInChI=1S/C17H26N2/c1-6-12-19(13-7-1)14-15-8-2-3-9-16(15)17-10-4-5-11-18-17/h2-3,8-9,17-18H,1,4-7,10-14H2
InChIKeyKOUKADWYQPMXNN-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[2-(fluoromethyl)phenyl]piperidine
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[2-[(2S)-pyrrolidin-2-yl]phenyl]methanol
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1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine
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(2S)-2-naphthalen-1-ylazepane
CID 7048283
1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine
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2-(2-cyclopentylphenyl)piperidine
CID 115005914
2-naphthalen-1-ylpiperidine
CID 4209523
1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine
CID 58597255
1-(3-piperidin-2-yl-2-pyridinyl)azepane
CID 102541861
1-[(2-fluoro-4-pyrrolidin-2-ylphenyl)methyl]piperidine
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2-(2-cyclohexylphenyl)pyrrolidine
CID 77131701

Frequently Asked Questions

What is the IUPAC name of 1-[(2-piperidin-2-ylphenyl)methyl]piperidine?
The IUPAC name of 1-[(2-piperidin-2-ylphenyl)methyl]piperidine (CID 117400046) is 1-[(2-piperidin-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 1-[(2-piperidin-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 1-[(2-piperidin-2-ylphenyl)methyl]piperidine is c1ccc(C2CCCCN2)c(CN2CCCCC2)c1.
What is the InChIKey of 1-[(2-piperidin-2-ylphenyl)methyl]piperidine?
The InChIKey is KOUKADWYQPMXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-6-12-19(13-7-1)14-15-8-2-3-9-16(15)17-10-4-5-11-18-17/h2-3,8-9,17-18H,1,4-7,10-14H2.
What are the key properties of 1-[(2-piperidin-2-ylphenyl)methyl]piperidine?
1-[(2-piperidin-2-ylphenyl)methyl]piperidine has a molecular weight of 258.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-piperidin-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 117400046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).