1-cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine

C21H32N2O — CID 11381875

IUPAC1-cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine
SMILESCOc1cccc2c1CCCC2N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H32N2O/c1-24-21-12-6-9-18-19(21)10-5-11-20(18)23-15-13-22(14-16-23)17-7-3-2-4-8-17/h6,9,12,17,20H,2-5,7-8,10-11,13-16H2,1H3
InChIKeyZKMTXBPXPWCYGI-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.02
Rot. Bonds3

About 1-cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine

1-cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine (PubChem CID 11381875) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine
PubChem CID11381875
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name1-cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine
SMILESCOc1cccc2c1CCCC2N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H32N2O/c1-24-21-12-6-9-18-19(21)10-5-11-20(18)23-15-13-22(14-16-23)17-7-3-2-4-8-17/h6,9,12,17,20H,2-5,7-8,10-11,13-16H2,1H3
InChIKeyZKMTXBPXPWCYGI-UHFFFAOYSA-N
XLogP4.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dapoxetine
CID 71353
1-Cyclohexyl-4-(3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl)-piperazine
CID 10474335
3,3-Dimethyl-1-(3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-n-propyl)piperidine
CID 10245193
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10361439
Isoquinoline, 1,2,3,4-tetrahydro-8-(3-methoxyphenyl)-2-(phenylmethyl)-, hydrochloride
CID 3057765
1-Cyclohexyl-4-[3-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 11152920
1-[2-(4-Fluorophenyl)-2-(4-isopropylhexahydro-1-pyrazinyl)ethyl]-4-[4-(2-methoxy-1-naphthyl)butyl]hexahydropyrazine
CID 10098971
1-(2-(2-Methoxyphenyl)-1-phenylethyl)piperazine
CID 44414722
1-[4-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-butyl]-3,3-dimethyl-piperidine
CID 10595029
4-Benzyl-1-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperidine
CID 10595772
4-Cyclohexyl-1-[N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-aminoethyl]piperidine
CID 44598190
1-(3-Methoxybenzyl)-4-(3-phenylpropyl)piperazine
CID 751070

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine?
The IUPAC name of 1-cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine (CID 11381875) is 1-cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine.
What is the SMILES notation for 1-cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine?
The canonical SMILES for 1-cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine is COc1cccc2c1CCCC2N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine?
The InChIKey is ZKMTXBPXPWCYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-24-21-12-6-9-18-19(21)10-5-11-20(18)23-15-13-22(14-16-23)17-7-3-2-4-8-17/h6,9,12,17,20H,2-5,7-8,10-11,13-16H2,1H3.
What are the key properties of 1-cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine?
1-cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine has a molecular weight of 328.50 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine is sourced from PubChem (CID 11381875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).