1-methyl-3-(3-piperidin-3-ylphenyl)piperidine

C17H26N2 — CID 116988809

IUPAC1-methyl-3-(3-piperidin-3-ylphenyl)piperidine
SMILESCN1CCCC(c2cccc(C3CCCNC3)c2)C1
InChIInChI=1S/C17H26N2/c1-19-10-4-8-17(13-19)15-6-2-5-14(11-15)16-7-3-9-18-12-16/h2,5-6,11,16-18H,3-4,7-10,12-13H2,1H3
InChIKeyNDVIEDQEWCETCV-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.96
Rot. Bonds2

About 1-methyl-3-(3-piperidin-3-ylphenyl)piperidine

1-methyl-3-(3-piperidin-3-ylphenyl)piperidine (PubChem CID 116988809) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-methyl-3-(3-piperidin-3-ylphenyl)piperidine.

Molecular Properties

Compound Name1-methyl-3-(3-piperidin-3-ylphenyl)piperidine
PubChem CID116988809
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-methyl-3-(3-piperidin-3-ylphenyl)piperidine
SMILESCN1CCCC(c2cccc(C3CCCNC3)c2)C1
InChIInChI=1S/C17H26N2/c1-19-10-4-8-17(13-19)15-6-2-5-14(11-15)16-7-3-9-18-12-16/h2,5-6,11,16-18H,3-4,7-10,12-13H2,1H3
InChIKeyNDVIEDQEWCETCV-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine
CID 116988525
1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine
CID 116988811
1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine
CID 117438888
3-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 22856989
3-piperidin-3-ylbenzenethiol
CID 116988736
1-methylpiperidine;3-phenylpiperidine;pyridine
CID 70537443
1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine
CID 117434154
2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine
CID 116988801
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine
CID 117366269
4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine
CID 116988876
4-[(3R)-1-methylpiperidin-3-yl]benzene-1,2-diol
CID 92966347

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-piperidin-3-ylphenyl)piperidine?
The IUPAC name of 1-methyl-3-(3-piperidin-3-ylphenyl)piperidine (CID 116988809) is 1-methyl-3-(3-piperidin-3-ylphenyl)piperidine.
What is the SMILES notation for 1-methyl-3-(3-piperidin-3-ylphenyl)piperidine?
The canonical SMILES for 1-methyl-3-(3-piperidin-3-ylphenyl)piperidine is CN1CCCC(c2cccc(C3CCCNC3)c2)C1.
What is the InChIKey of 1-methyl-3-(3-piperidin-3-ylphenyl)piperidine?
The InChIKey is NDVIEDQEWCETCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-19-10-4-8-17(13-19)15-6-2-5-14(11-15)16-7-3-9-18-12-16/h2,5-6,11,16-18H,3-4,7-10,12-13H2,1H3.
What are the key properties of 1-methyl-3-(3-piperidin-3-ylphenyl)piperidine?
1-methyl-3-(3-piperidin-3-ylphenyl)piperidine has a molecular weight of 258.41 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-piperidin-3-ylphenyl)piperidine is sourced from PubChem (CID 116988809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).