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

C18H28N2 — CID 117434154

IUPAC1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine
SMILESCN1CCC(c2cccc(CC3CCCNC3)c2)CC1
InChIInChI=1S/C18H28N2/c1-20-10-7-17(8-11-20)18-6-2-4-15(13-18)12-16-5-3-9-19-14-16/h2,4,6,13,16-17,19H,3,5,7-12,14H2,1H3
InChIKeyWRVFJVGWHZSQOC-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.04
Rot. Bonds3

About 1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine

1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine (PubChem CID 117434154) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine
PubChem CID117434154
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine
SMILESCN1CCC(c2cccc(CC3CCCNC3)c2)CC1
InChIInChI=1S/C18H28N2/c1-20-10-7-17(8-11-20)18-6-2-4-15(13-18)12-16-5-3-9-19-14-16/h2,4,6,13,16-17,19H,3,5,7-12,14H2,1H3
InChIKeyWRVFJVGWHZSQOC-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine
CID 117498825
1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine
CID 117466208
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine
CID 116988876
3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
CID 84701353
3-(piperidin-3-ylmethyl)phenol
CID 57155980
3-[(3-propan-2-ylphenyl)methyl]piperidine
CID 84785652
1-methyl-3-(3-piperidin-3-ylphenyl)piperidine
CID 116988809
1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 117363448
ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine
CID 144545946
4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 119931163

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine?
The IUPAC name of 1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine (CID 117434154) is 1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine.
What is the SMILES notation for 1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine?
The canonical SMILES for 1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine is CN1CCC(c2cccc(CC3CCCNC3)c2)CC1.
What is the InChIKey of 1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine?
The InChIKey is WRVFJVGWHZSQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-20-10-7-17(8-11-20)18-6-2-4-15(13-18)12-16-5-3-9-19-14-16/h2,4,6,13,16-17,19H,3,5,7-12,14H2,1H3.
What are the key properties of 1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine?
1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine has a molecular weight of 272.44 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine is sourced from PubChem (CID 117434154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).