1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-cyclopentyloxyphenyl)piperidine

C23H33NO — CID 58772373

IUPAC1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-cyclopentyloxyphenyl)piperidine
SMILESc1ccc(C2CCN([C@H]3C[C@H]4CCC3C4)CC2)c(OC2CCCC2)c1
InChIInChI=1S/C23H33NO/c1-2-6-20(5-1)25-23-8-4-3-7-21(23)18-11-13-24(14-12-18)22-16-17-9-10-19(22)15-17/h3-4,7-8,17-20,22H,1-2,5-6,9-16H2/t17-,19?,22-/m0/s1
InChIKeyCADQLCZFKYOHQE-RLPNNEDTSA-N
MW339.52 g/mol
LogP5.38
Rot. Bonds4

About 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-cyclopentyloxyphenyl)piperidine

1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-cyclopentyloxyphenyl)piperidine (PubChem CID 58772373) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-cyclopentyloxyphenyl)piperidine.

Molecular Properties

Compound Name1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-cyclopentyloxyphenyl)piperidine
PubChem CID58772373
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-cyclopentyloxyphenyl)piperidine
SMILESc1ccc(C2CCN([C@H]3C[C@H]4CCC3C4)CC2)c(OC2CCCC2)c1
InChIInChI=1S/C23H33NO/c1-2-6-20(5-1)25-23-8-4-3-7-21(23)18-11-13-24(14-12-18)22-16-17-9-10-19(22)15-17/h3-4,7-8,17-20,22H,1-2,5-6,9-16H2/t17-,19?,22-/m0/s1
InChIKeyCADQLCZFKYOHQE-RLPNNEDTSA-N
XLogP5.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-ethoxyphenyl)piperidine
CID 58772230
2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol
CID 58772232
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperidine
CID 58772016
1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(2,3-dimethoxyphenyl)phenyl]piperidine
CID 58772096
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(4-methylphenyl)phenyl]piperidine
CID 58772170
1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine
CID 11703842
1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-difluorophenyl)piperidine
CID 58772037
4-(2-cyclopentyloxyphenyl)piperidine
CID 156722248
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-phenylethynyl)phenyl]piperidine
CID 66970923
1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine
CID 58772326
methyl 4-[2-[1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenyl]benzoate
CID 58772421
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-ethyl-2-methoxyphenyl)piperidine
CID 70795098

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-cyclopentyloxyphenyl)piperidine?
The IUPAC name of 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-cyclopentyloxyphenyl)piperidine (CID 58772373) is 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-cyclopentyloxyphenyl)piperidine.
What is the SMILES notation for 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-cyclopentyloxyphenyl)piperidine?
The canonical SMILES for 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-cyclopentyloxyphenyl)piperidine is c1ccc(C2CCN([C@H]3C[C@H]4CCC3C4)CC2)c(OC2CCCC2)c1.
What is the InChIKey of 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-cyclopentyloxyphenyl)piperidine?
The InChIKey is CADQLCZFKYOHQE-RLPNNEDTSA-N. The full InChI is InChI=1S/C23H33NO/c1-2-6-20(5-1)25-23-8-4-3-7-21(23)18-11-13-24(14-12-18)22-16-17-9-10-19(22)15-17/h3-4,7-8,17-20,22H,1-2,5-6,9-16H2/t17-,19?,22-/m0/s1.
What are the key properties of 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-cyclopentyloxyphenyl)piperidine?
1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-cyclopentyloxyphenyl)piperidine has a molecular weight of 339.52 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-cyclopentyloxyphenyl)piperidine is sourced from PubChem (CID 58772373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).