3-[4-(piperidin-3-ylmethyl)phenyl]piperidine

C17H26N2 — CID 116988274

IUPAC3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
SMILESc1cc(C2CCCNC2)ccc1CC1CCCNC1
InChIInChI=1S/C17H26N2/c1-3-15(12-18-9-1)11-14-5-7-16(8-6-14)17-4-2-10-19-13-17/h5-8,15,17-19H,1-4,9-13H2
InChIKeyQPGZYVVBWFYQPR-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.70
Rot. Bonds3

About 3-[4-(piperidin-3-ylmethyl)phenyl]piperidine

3-[4-(piperidin-3-ylmethyl)phenyl]piperidine (PubChem CID 116988274) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-[4-(piperidin-3-ylmethyl)phenyl]piperidine.

Molecular Properties

Compound Name3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
PubChem CID116988274
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
SMILESc1cc(C2CCCNC2)ccc1CC1CCCNC1
InChIInChI=1S/C17H26N2/c1-3-15(12-18-9-1)11-14-5-7-16(8-6-14)17-4-2-10-19-13-17/h5-8,15,17-19H,1-4,9-13H2
InChIKeyQPGZYVVBWFYQPR-UHFFFAOYSA-N
XLogP2.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-cyclobutylphenyl)methyl]piperidine
CID 84793090
4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
CID 116988438
4-(piperidin-3-ylmethyl)benzonitrile
CID 45074435
4-[[(3R)-piperidin-3-yl]methyl]benzonitrile
CID 93078230
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
2-[(4-piperidin-3-ylphenyl)methyl]morpholine
CID 116988313
4-(azepan-3-ylmethyl)aniline
CID 131866248
[4-(azepan-3-ylmethyl)phenyl]methanol
CID 104680736
3-[4-(2,2-dimethylpropyl)phenyl]piperidine
CID 117335235
N,N-diethyl-4-(piperidin-3-ylmethyl)aniline
CID 117368943
3-[(4-ethylsulfanylphenyl)methyl]piperidine
CID 82496706
3-(4-ethylphenyl)azepane
CID 83819662

Frequently Asked Questions

What is the IUPAC name of 3-[4-(piperidin-3-ylmethyl)phenyl]piperidine?
The IUPAC name of 3-[4-(piperidin-3-ylmethyl)phenyl]piperidine (CID 116988274) is 3-[4-(piperidin-3-ylmethyl)phenyl]piperidine.
What is the SMILES notation for 3-[4-(piperidin-3-ylmethyl)phenyl]piperidine?
The canonical SMILES for 3-[4-(piperidin-3-ylmethyl)phenyl]piperidine is c1cc(C2CCCNC2)ccc1CC1CCCNC1.
What is the InChIKey of 3-[4-(piperidin-3-ylmethyl)phenyl]piperidine?
The InChIKey is QPGZYVVBWFYQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-15(12-18-9-1)11-14-5-7-16(8-6-14)17-4-2-10-19-13-17/h5-8,15,17-19H,1-4,9-13H2.
What are the key properties of 3-[4-(piperidin-3-ylmethyl)phenyl]piperidine?
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine has a molecular weight of 258.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(piperidin-3-ylmethyl)phenyl]piperidine is sourced from PubChem (CID 116988274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).