1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine

C24H38N2O — CID 11428679

IUPAC1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine
SMILESCOc1cccc2c1CCC[C@H]2CCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3/t20-/m0/s1
InChIKeyPHRCDWVPTULQMT-FQEVSTJZSA-N
MW370.58 g/mol
LogP4.85
Rot. Bonds6

About 1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine

1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine (PubChem CID 11428679) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is 1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine
PubChem CID11428679
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC Name1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine
SMILESCOc1cccc2c1CCC[C@H]2CCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3/t20-/m0/s1
InChIKeyPHRCDWVPTULQMT-FQEVSTJZSA-N
XLogP4.85
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.58
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine (CID 11428679) is 1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine is COc1cccc2c1CCC[C@H]2CCCN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine?
The InChIKey is PHRCDWVPTULQMT-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3/t20-/m0/s1.
What are the key properties of 1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine?
1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine has a molecular weight of 370.58 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine is sourced from PubChem (CID 11428679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).