1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine

C25H34N2 — CID 25147728

IUPAC1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
SMILESc1cc(-c2ccc(CN3CCCCC3)cc2)ccc1CCN1CCCCC1
InChIInChI=1S/C25H34N2/c1-3-16-26(17-4-1)20-15-22-7-11-24(12-8-22)25-13-9-23(10-14-25)21-27-18-5-2-6-19-27/h7-14H,1-6,15-21H2
InChIKeyIPENPJGNQLBYMT-UHFFFAOYSA-N
MW362.56 g/mol
LogP5.37
Rot. Bonds6

About 1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine

1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine (PubChem CID 25147728) has the molecular formula C25H34N2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
PubChem CID25147728
Molecular FormulaC25H34N2
Molecular Weight362.56 g/mol
Exact Mass362.27
IUPAC Name1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
SMILESc1cc(-c2ccc(CN3CCCCC3)cc2)ccc1CCN1CCCCC1
InChIInChI=1S/C25H34N2/c1-3-16-26(17-4-1)20-15-22-7-11-24(12-8-22)25-13-9-23(10-14-25)21-27-18-5-2-6-19-27/h7-14H,1-6,15-21H2
InChIKeyIPENPJGNQLBYMT-UHFFFAOYSA-N
XLogP5.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]piperidin-4-ol
CID 71034592
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
1-[(4-methylphenyl)methyl]azepane
CID 3951815
1-[[4-(2-chloroethyl)phenyl]methyl]pyrrolidine
CID 69499407
1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride
CID 21275288
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine
CID 57495495
1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine
CID 90956572
4-(piperidin-1-ylmethyl)benzenethiol
CID 46785612
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
1-[2-(4-octylphenyl)ethyl]azepane
CID 71546091

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine?
The IUPAC name of 1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine (CID 25147728) is 1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine?
The canonical SMILES for 1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine is c1cc(-c2ccc(CN3CCCCC3)cc2)ccc1CCN1CCCCC1.
What is the InChIKey of 1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine?
The InChIKey is IPENPJGNQLBYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2/c1-3-16-26(17-4-1)20-15-22-7-11-24(12-8-22)25-13-9-23(10-14-25)21-27-18-5-2-6-19-27/h7-14H,1-6,15-21H2.
What are the key properties of 1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine?
1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine has a molecular weight of 362.56 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine is sourced from PubChem (CID 25147728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).