(1R,2S,4S)-4-[[4-(4-methoxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentan-1-ol

C24H31NO3 — CID 88689363

IUPAC(1R,2S,4S)-4-[[4-(4-methoxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentan-1-ol
SMILESCOc1ccc(-c2ccc(CO[C@@H]3C[C@@H](O)[C@@H](N4CCCCC4)C3)cc2)cc1
InChIInChI=1S/C24H31NO3/c1-27-21-11-9-20(10-12-21)19-7-5-18(6-8-19)17-28-22-15-23(24(26)16-22)25-13-3-2-4-14-25/h5-12,22-24,26H,2-4,13-17H2,1H3/t22-,23-,24+/m0/s1
InChIKeyJESDYETVYCHAIQ-KMDXXIMOSA-N
MW381.52 g/mol
LogP4.26
Rot. Bonds6

About (1R,2S,4S)-4-[[4-(4-methoxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentan-1-ol

(1R,2S,4S)-4-[[4-(4-methoxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentan-1-ol (PubChem CID 88689363) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is (1R,2S,4S)-4-[[4-(4-methoxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,4S)-4-[[4-(4-methoxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentan-1-ol
PubChem CID88689363
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name(1R,2S,4S)-4-[[4-(4-methoxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentan-1-ol
SMILESCOc1ccc(-c2ccc(CO[C@@H]3C[C@@H](O)[C@@H](N4CCCCC4)C3)cc2)cc1
InChIInChI=1S/C24H31NO3/c1-27-21-11-9-20(10-12-21)19-7-5-18(6-8-19)17-28-22-15-23(24(26)16-22)25-13-3-2-4-14-25/h5-12,22-24,26H,2-4,13-17H2,1H3/t22-,23-,24+/m0/s1
InChIKeyJESDYETVYCHAIQ-KMDXXIMOSA-N
XLogP4.26
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-4-[[4-(4-methoxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentan-1-ol?
The IUPAC name of (1R,2S,4S)-4-[[4-(4-methoxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentan-1-ol (CID 88689363) is (1R,2S,4S)-4-[[4-(4-methoxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentan-1-ol.
What is the SMILES notation for (1R,2S,4S)-4-[[4-(4-methoxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentan-1-ol?
The canonical SMILES for (1R,2S,4S)-4-[[4-(4-methoxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentan-1-ol is COc1ccc(-c2ccc(CO[C@@H]3C[C@@H](O)[C@@H](N4CCCCC4)C3)cc2)cc1.
What is the InChIKey of (1R,2S,4S)-4-[[4-(4-methoxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentan-1-ol?
The InChIKey is JESDYETVYCHAIQ-KMDXXIMOSA-N. The full InChI is InChI=1S/C24H31NO3/c1-27-21-11-9-20(10-12-21)19-7-5-18(6-8-19)17-28-22-15-23(24(26)16-22)25-13-3-2-4-14-25/h5-12,22-24,26H,2-4,13-17H2,1H3/t22-,23-,24+/m0/s1.
What are the key properties of (1R,2S,4S)-4-[[4-(4-methoxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentan-1-ol?
(1R,2S,4S)-4-[[4-(4-methoxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentan-1-ol has a molecular weight of 381.52 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-4-[[4-(4-methoxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentan-1-ol is sourced from PubChem (CID 88689363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).