1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine

C19H30N2 — CID 166366973

IUPAC1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C19H30N2/c1-2-20-12-14-21(15-13-20)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h8-11,18H,2-7,12-16H2,1H3
InChIKeyOYAMFQVUDCOVLG-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.87
Rot. Bonds4

About 1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine

1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine (PubChem CID 166366973) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine
PubChem CID166366973
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C19H30N2/c1-2-20-12-14-21(15-13-20)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h8-11,18H,2-7,12-16H2,1H3
InChIKeyOYAMFQVUDCOVLG-UHFFFAOYSA-N
XLogP3.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419563
5-[[4-[(4-cyclobutylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine
CID 143896367
3-[(4-cyclohexylphenyl)methyl]-1-ethylimidazolidine-2,4-dione
CID 166228514
1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine
CID 82166048
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62419565
N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine
CID 115263158
N-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide
CID 90316604
1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine
CID 117434167
1-(2-chloropropyl)-4-cyclohexylbenzene
CID 82255538
N,N-diethyl-4-[(4-ethylpiperazin-1-yl)methyl]aniline
CID 782564
ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine
CID 155582592
[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]boronic acid
CID 54971095

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine?
The IUPAC name of 1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine (CID 166366973) is 1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine is CCN1CCN(Cc2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine?
The InChIKey is OYAMFQVUDCOVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-20-12-14-21(15-13-20)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h8-11,18H,2-7,12-16H2,1H3.
What are the key properties of 1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine?
1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine is sourced from PubChem (CID 166366973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).