2-phenyl-1-(piperidin-4-ylmethyl)piperidine

C17H26N2 — CID 120847720

IUPAC2-phenyl-1-(piperidin-4-ylmethyl)piperidine
SMILESc1ccc(C2CCCCN2CC2CCNCC2)cc1
InChIInChI=1S/C17H26N2/c1-2-6-16(7-3-1)17-8-4-5-13-19(17)14-15-9-11-18-12-10-15/h1-3,6-7,15,17-18H,4-5,8-14H2
InChIKeyNCCSHRUISBUFQU-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.21
Rot. Bonds3

About 2-phenyl-1-(piperidin-4-ylmethyl)piperidine

2-phenyl-1-(piperidin-4-ylmethyl)piperidine (PubChem CID 120847720) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-phenyl-1-(piperidin-4-ylmethyl)piperidine.

Molecular Properties

Compound Name2-phenyl-1-(piperidin-4-ylmethyl)piperidine
PubChem CID120847720
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-phenyl-1-(piperidin-4-ylmethyl)piperidine
SMILESc1ccc(C2CCCCN2CC2CCNCC2)cc1
InChIInChI=1S/C17H26N2/c1-2-6-16(7-3-1)17-8-4-5-13-19(17)14-15-9-11-18-12-10-15/h1-3,6-7,15,17-18H,4-5,8-14H2
InChIKeyNCCSHRUISBUFQU-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 119930010
7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one
CID 119930634
1-(cyclopentylmethyl)-2-phenylpiperazine
CID 64832948
4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119930248
2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride
CID 119931465
1-(cyclobutylmethyl)-2-phenylpiperazine
CID 64936519
1-ethyl-2-phenylazepane
CID 59678181
2-(2-phenylpiperidin-1-yl)acetic acid
CID 23201321
2-(2-phenylpiperidin-1-yl)ethanamine
CID 69157822
4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine
CID 119930243
1-(oxan-4-ylmethyl)-2-phenylpiperazine
CID 64834544
1-butyl-2-phenylpiperidine
CID 10036306

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(piperidin-4-ylmethyl)piperidine?
The IUPAC name of 2-phenyl-1-(piperidin-4-ylmethyl)piperidine (CID 120847720) is 2-phenyl-1-(piperidin-4-ylmethyl)piperidine.
What is the SMILES notation for 2-phenyl-1-(piperidin-4-ylmethyl)piperidine?
The canonical SMILES for 2-phenyl-1-(piperidin-4-ylmethyl)piperidine is c1ccc(C2CCCCN2CC2CCNCC2)cc1.
What is the InChIKey of 2-phenyl-1-(piperidin-4-ylmethyl)piperidine?
The InChIKey is NCCSHRUISBUFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-6-16(7-3-1)17-8-4-5-13-19(17)14-15-9-11-18-12-10-15/h1-3,6-7,15,17-18H,4-5,8-14H2.
What are the key properties of 2-phenyl-1-(piperidin-4-ylmethyl)piperidine?
2-phenyl-1-(piperidin-4-ylmethyl)piperidine has a molecular weight of 258.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(piperidin-4-ylmethyl)piperidine is sourced from PubChem (CID 120847720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).