1-(2-chlorophenyl)-4-[(3S)-3-methoxypiperidin-1-yl]piperidine

C17H25ClN2O — CID 164642700

IUPAC1-(2-chlorophenyl)-4-[(3S)-3-methoxypiperidin-1-yl]piperidine
SMILESCO[C@H]1CCCN(C2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C17H25ClN2O/c1-21-15-5-4-10-20(13-15)14-8-11-19(12-9-14)17-7-3-2-6-16(17)18/h2-3,6-7,14-15H,4-5,8-13H2,1H3/t15-/m0/s1
InChIKeyXVRNVZXKVJICJG-HNNXBMFYSA-N
MW308.85 g/mol
LogP3.42
Rot. Bonds3

About 1-(2-chlorophenyl)-4-[(3S)-3-methoxypiperidin-1-yl]piperidine

1-(2-chlorophenyl)-4-[(3S)-3-methoxypiperidin-1-yl]piperidine (PubChem CID 164642700) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[(3S)-3-methoxypiperidin-1-yl]piperidine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[(3S)-3-methoxypiperidin-1-yl]piperidine
PubChem CID164642700
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name1-(2-chlorophenyl)-4-[(3S)-3-methoxypiperidin-1-yl]piperidine
SMILESCO[C@H]1CCCN(C2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C17H25ClN2O/c1-21-15-5-4-10-20(13-15)14-8-11-19(12-9-14)17-7-3-2-6-16(17)18/h2-3,6-7,14-15H,4-5,8-13H2,1H3/t15-/m0/s1
InChIKeyXVRNVZXKVJICJG-HNNXBMFYSA-N
XLogP3.42
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[(3S)-3-methoxypiperidin-1-yl]piperidine?
The IUPAC name of 1-(2-chlorophenyl)-4-[(3S)-3-methoxypiperidin-1-yl]piperidine (CID 164642700) is 1-(2-chlorophenyl)-4-[(3S)-3-methoxypiperidin-1-yl]piperidine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[(3S)-3-methoxypiperidin-1-yl]piperidine?
The canonical SMILES for 1-(2-chlorophenyl)-4-[(3S)-3-methoxypiperidin-1-yl]piperidine is CO[C@H]1CCCN(C2CCN(c3ccccc3Cl)CC2)C1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[(3S)-3-methoxypiperidin-1-yl]piperidine?
The InChIKey is XVRNVZXKVJICJG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-21-15-5-4-10-20(13-15)14-8-11-19(12-9-14)17-7-3-2-6-16(17)18/h2-3,6-7,14-15H,4-5,8-13H2,1H3/t15-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-4-[(3S)-3-methoxypiperidin-1-yl]piperidine?
1-(2-chlorophenyl)-4-[(3S)-3-methoxypiperidin-1-yl]piperidine has a molecular weight of 308.85 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[(3S)-3-methoxypiperidin-1-yl]piperidine is sourced from PubChem (CID 164642700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).