cis-(1R,2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]cyclohexan-1-ol

C19H30N2O2 — CID 97085468

IUPACcis-(1R,2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]cyclohexan-1-ol
SMILESCOc1ccc(CCN2CCN([C@H]3CCCC[C@H]3O)CC2)cc1
InChIInChI=1S/C19H30N2O2/c1-23-17-8-6-16(7-9-17)10-11-20-12-14-21(15-13-20)18-4-2-3-5-19(18)22/h6-9,18-19,22H,2-5,10-15H2,1H3/t18-,19+/m0/s1
InChIKeyMKBIIAGOBMBNHS-RBUKOAKNSA-N
MW318.46 g/mol
LogP2.16
Rot. Bonds5

About cis-(1R,2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]cyclohexan-1-ol

cis-(1R,2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]cyclohexan-1-ol (PubChem CID 97085468) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is cis-(1R,2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]cyclohexan-1-ol
PubChem CID97085468
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Namecis-(1R,2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]cyclohexan-1-ol
SMILESCOc1ccc(CCN2CCN([C@H]3CCCC[C@H]3O)CC2)cc1
InChIInChI=1S/C19H30N2O2/c1-23-17-8-6-16(7-9-17)10-11-20-12-14-21(15-13-20)18-4-2-3-5-19(18)22/h6-9,18-19,22H,2-5,10-15H2,1H3/t18-,19+/m0/s1
InChIKeyMKBIIAGOBMBNHS-RBUKOAKNSA-N
XLogP2.16
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine
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(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
CID 54146924
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
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(4aS,8aR)-4-[2-(4-methoxyphenyl)ethyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
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[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
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N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide
CID 65444861
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]cyclohexan-1-ol
CID 110883553

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]cyclohexan-1-ol (CID 97085468) is cis-(1R,2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]cyclohexan-1-ol is COc1ccc(CCN2CCN([C@H]3CCCC[C@H]3O)CC2)cc1.
What is the InChIKey of cis-(1R,2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]cyclohexan-1-ol?
The InChIKey is MKBIIAGOBMBNHS-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-23-17-8-6-16(7-9-17)10-11-20-12-14-21(15-13-20)18-4-2-3-5-19(18)22/h6-9,18-19,22H,2-5,10-15H2,1H3/t18-,19+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]cyclohexan-1-ol?
cis-(1R,2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]cyclohexan-1-ol has a molecular weight of 318.46 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 97085468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).