1-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)piperazine

C18H25ClN2O — CID 11427211

IUPAC1-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)piperazine
SMILESCOc1ccc(Cl)cc1N1CCN(C2C[C@@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C18H25ClN2O/c1-22-18-5-4-15(19)12-17(18)21-8-6-20(7-9-21)16-11-13-2-3-14(16)10-13/h4-5,12-14,16H,2-3,6-11H2,1H3/t13-,14+,16?/m1/s1
InChIKeySHPVQQJNFZIURU-CNYCQXTOSA-N
MW320.86 g/mol
LogP3.66
Rot. Bonds3

About 1-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)piperazine

1-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)piperazine (PubChem CID 11427211) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is 1-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)piperazine
PubChem CID11427211
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name1-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)piperazine
SMILESCOc1ccc(Cl)cc1N1CCN(C2C[C@@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C18H25ClN2O/c1-22-18-5-4-15(19)12-17(18)21-8-6-20(7-9-21)16-11-13-2-3-14(16)10-13/h4-5,12-14,16H,2-3,6-11H2,1H3/t13-,14+,16?/m1/s1
InChIKeySHPVQQJNFZIURU-CNYCQXTOSA-N
XLogP3.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)-4-fluoropiperidine
CID 58772408
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine
CID 6456424
1-(5-chloro-2-methoxyphenyl)pyrrolidine
CID 82538228
1-(2-bicyclo[4.2.1]nonanyl)-4-(5-chloro-2-methoxyphenyl)piperidin-4-ol
CID 58772186
2-(5-chloro-2-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929968
1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine
CID 58772326
[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 11898797
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-chlorophenyl)methyl]piperazine
CID 50935549
(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine
CID 51663668
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-ethyl-2-methoxyphenyl)piperidine
CID 70795098
1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 98124868
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(2,5-difluorophenyl)-2-methoxyphenyl]piperidine
CID 58772399

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)piperazine (CID 11427211) is 1-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)piperazine is COc1ccc(Cl)cc1N1CCN(C2C[C@@H]3CC[C@H]2C3)CC1.
What is the InChIKey of 1-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)piperazine?
The InChIKey is SHPVQQJNFZIURU-CNYCQXTOSA-N. The full InChI is InChI=1S/C18H25ClN2O/c1-22-18-5-4-15(19)12-17(18)21-8-6-20(7-9-21)16-11-13-2-3-14(16)10-13/h4-5,12-14,16H,2-3,6-11H2,1H3/t13-,14+,16?/m1/s1.
What are the key properties of 1-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)piperazine?
1-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)piperazine has a molecular weight of 320.86 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)piperazine is sourced from PubChem (CID 11427211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).