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

C24H32N2 — CID 15984057

IUPAC1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine
SMILESc1cc(-c2ccc(CN3CCCCC3)cc2)ccc1CN1CCCCC1
InChIInChI=1S/C24H32N2/c1-3-15-25(16-4-1)19-21-7-11-23(12-8-21)24-13-9-22(10-14-24)20-26-17-5-2-6-18-26/h7-14H,1-6,15-20H2
InChIKeyKPTFXOABKWRVBF-UHFFFAOYSA-N
MW348.53 g/mol
LogP5.33
Rot. Bonds5

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

1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine (PubChem CID 15984057) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine
PubChem CID15984057
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Name1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine
SMILESc1cc(-c2ccc(CN3CCCCC3)cc2)ccc1CN1CCCCC1
InChIInChI=1S/C24H32N2/c1-3-15-25(16-4-1)19-21-7-11-23(12-8-21)24-13-9-22(10-14-24)20-26-17-5-2-6-18-26/h7-14H,1-6,15-20H2
InChIKeyKPTFXOABKWRVBF-UHFFFAOYSA-N
XLogP5.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Cyclizine Hydrochloride
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1,4-Dibenzylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine?
The IUPAC name of 1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine (CID 15984057) is 1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine?
The canonical SMILES for 1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine is c1cc(-c2ccc(CN3CCCCC3)cc2)ccc1CN1CCCCC1.
What is the InChIKey of 1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine?
The InChIKey is KPTFXOABKWRVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2/c1-3-15-25(16-4-1)19-21-7-11-23(12-8-21)24-13-9-22(10-14-24)20-26-17-5-2-6-18-26/h7-14H,1-6,15-20H2.
What are the key properties of 1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine?
1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine has a molecular weight of 348.53 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine is sourced from PubChem (CID 15984057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).