N,N-diethyl-2-[3-phenyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanamine

C30H39N3O — CID 54566101

IUPACN,N-diethyl-2-[3-phenyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanamine
SMILESCCN(CC)CCN1CCN(Cc2ccc(OCc3ccccc3)cc2)C(c2ccccc2)C1
InChIInChI=1S/C30H39N3O/c1-3-31(4-2)19-20-32-21-22-33(30(24-32)28-13-9-6-10-14-28)23-26-15-17-29(18-16-26)34-25-27-11-7-5-8-12-27/h5-18,30H,3-4,19-25H2,1-2H3
InChIKeyZTXWBJRQKSTEKZ-UHFFFAOYSA-N
MW457.66 g/mol
LogP5.47
Rot. Bonds11

About N,N-diethyl-2-[3-phenyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanamine

N,N-diethyl-2-[3-phenyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanamine (PubChem CID 54566101) has the molecular formula C30H39N3O and a molecular weight of 457.66 g/mol. Its IUPAC name is N,N-diethyl-2-[3-phenyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[3-phenyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanamine
PubChem CID54566101
Molecular FormulaC30H39N3O
Molecular Weight457.66 g/mol
Exact Mass457.31
IUPAC NameN,N-diethyl-2-[3-phenyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanamine
SMILESCCN(CC)CCN1CCN(Cc2ccc(OCc3ccccc3)cc2)C(c2ccccc2)C1
InChIInChI=1S/C30H39N3O/c1-3-31(4-2)19-20-32-21-22-33(30(24-32)28-13-9-6-10-14-28)23-26-15-17-29(18-16-26)34-25-27-11-7-5-8-12-27/h5-18,30H,3-4,19-25H2,1-2H3
InChIKeyZTXWBJRQKSTEKZ-UHFFFAOYSA-N
XLogP5.47
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.66
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[2-(diethylamino)ethyl]-2-phenylpiperazin-1-yl]methyl]benzene-1,2-diol
CID 70637767
N,N-diethyl-2-[3-phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]ethanamine
CID 86733025
(2S)-2-phenyl-1,4-dipropylpiperazine
CID 124541393
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45220474
4-(1,4-dibenzylpiperazin-2-yl)benzonitrile
CID 77150858
1-benzyl-4-iodo-2-phenylpiperazine
CID 163774548
4-benzyl-3-phenylpiperazin-1-amine
CID 3030044
1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine
CID 3653274
N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-N-(4-phenylmethoxyphenyl)aniline
CID 118954533
(3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine
CID 28784062
N-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine
CID 89197006

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-phenyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[3-phenyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanamine (CID 54566101) is N,N-diethyl-2-[3-phenyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[3-phenyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[3-phenyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanamine is CCN(CC)CCN1CCN(Cc2ccc(OCc3ccccc3)cc2)C(c2ccccc2)C1.
What is the InChIKey of N,N-diethyl-2-[3-phenyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanamine?
The InChIKey is ZTXWBJRQKSTEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O/c1-3-31(4-2)19-20-32-21-22-33(30(24-32)28-13-9-6-10-14-28)23-26-15-17-29(18-16-26)34-25-27-11-7-5-8-12-27/h5-18,30H,3-4,19-25H2,1-2H3.
What are the key properties of N,N-diethyl-2-[3-phenyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanamine?
N,N-diethyl-2-[3-phenyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanamine has a molecular weight of 457.66 g/mol, XLogP of 5.47, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-phenyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 54566101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).