N-ethyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]ethanamine

C23H32N2 — CID 44588217

IUPACN-ethyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C23H32N2/c1-3-24(4-2)18-20-8-12-22(13-9-20)23-14-10-21(11-15-23)19-25-16-6-5-7-17-25/h8-15H,3-7,16-19H2,1-2H3
InChIKeyJNCUXGASTFMNNI-UHFFFAOYSA-N
MW336.52 g/mol
LogP5.18
Rot. Bonds7

About N-ethyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]ethanamine

N-ethyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]ethanamine (PubChem CID 44588217) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is N-ethyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]ethanamine
PubChem CID44588217
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC NameN-ethyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C23H32N2/c1-3-24(4-2)18-20-8-12-22(13-9-20)23-14-10-21(11-15-23)19-25-16-6-5-7-17-25/h8-15H,3-7,16-19H2,1-2H3
InChIKeyJNCUXGASTFMNNI-UHFFFAOYSA-N
XLogP5.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]ethanamine (CID 44588217) is N-ethyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]ethanamine is CCN(CC)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1.
What is the InChIKey of N-ethyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]ethanamine?
The InChIKey is JNCUXGASTFMNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-3-24(4-2)18-20-8-12-22(13-9-20)23-14-10-21(11-15-23)19-25-16-6-5-7-17-25/h8-15H,3-7,16-19H2,1-2H3.
What are the key properties of N-ethyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]ethanamine?
N-ethyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]ethanamine has a molecular weight of 336.52 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 44588217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).