N,N-dimethyl-2-phenyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]ethanamine

C28H34N2 — CID 57328078

IUPACN,N-dimethyl-2-phenyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]ethanamine
SMILESCN(C)C(Cc1ccccc1)c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C28H34N2/c1-29(2)28(21-23-9-5-3-6-10-23)27-17-15-26(16-18-27)25-13-11-24(12-14-25)22-30-19-7-4-8-20-30/h3,5-6,9-18,28H,4,7-8,19-22H2,1-2H3
InChIKeyWXCNZOSBXSIHTF-UHFFFAOYSA-N
MW398.59 g/mol
LogP6.18
Rot. Bonds7

About N,N-dimethyl-2-phenyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]ethanamine

N,N-dimethyl-2-phenyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]ethanamine (PubChem CID 57328078) has the molecular formula C28H34N2 and a molecular weight of 398.59 g/mol. Its IUPAC name is N,N-dimethyl-2-phenyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-phenyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]ethanamine
PubChem CID57328078
Molecular FormulaC28H34N2
Molecular Weight398.59 g/mol
Exact Mass398.27
IUPAC NameN,N-dimethyl-2-phenyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]ethanamine
SMILESCN(C)C(Cc1ccccc1)c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C28H34N2/c1-29(2)28(21-23-9-5-3-6-10-23)27-17-15-26(16-18-27)25-13-11-24(12-14-25)22-30-19-7-4-8-20-30/h3,5-6,9-18,28H,4,7-8,19-22H2,1-2H3
InChIKeyWXCNZOSBXSIHTF-UHFFFAOYSA-N
XLogP6.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]ethanamine?
The IUPAC name of N,N-dimethyl-2-phenyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]ethanamine (CID 57328078) is N,N-dimethyl-2-phenyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-phenyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-phenyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]ethanamine is CN(C)C(Cc1ccccc1)c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1.
What is the InChIKey of N,N-dimethyl-2-phenyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]ethanamine?
The InChIKey is WXCNZOSBXSIHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2/c1-29(2)28(21-23-9-5-3-6-10-23)27-17-15-26(16-18-27)25-13-11-24(12-14-25)22-30-19-7-4-8-20-30/h3,5-6,9-18,28H,4,7-8,19-22H2,1-2H3.
What are the key properties of N,N-dimethyl-2-phenyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]ethanamine?
N,N-dimethyl-2-phenyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]ethanamine has a molecular weight of 398.59 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]ethanamine is sourced from PubChem (CID 57328078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).