2-[3-(4-bromophenyl)propoxy]-5-piperidin-1-ylcyclopentan-1-ol

C19H28BrNO2 — CID 19995814

IUPAC2-[3-(4-bromophenyl)propoxy]-5-piperidin-1-ylcyclopentan-1-ol
SMILESOC1C(OCCCc2ccc(Br)cc2)CCC1N1CCCCC1
InChIInChI=1S/C19H28BrNO2/c20-16-8-6-15(7-9-16)5-4-14-23-18-11-10-17(19(18)22)21-12-2-1-3-13-21/h6-9,17-19,22H,1-5,10-14H2
InChIKeyHQURVJWKGRVVBR-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.78
Rot. Bonds6

About 2-[3-(4-bromophenyl)propoxy]-5-piperidin-1-ylcyclopentan-1-ol

2-[3-(4-bromophenyl)propoxy]-5-piperidin-1-ylcyclopentan-1-ol (PubChem CID 19995814) has the molecular formula C19H28BrNO2 and a molecular weight of 382.34 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)propoxy]-5-piperidin-1-ylcyclopentan-1-ol.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)propoxy]-5-piperidin-1-ylcyclopentan-1-ol
PubChem CID19995814
Molecular FormulaC19H28BrNO2
Molecular Weight382.34 g/mol
Exact Mass381.13
IUPAC Name2-[3-(4-bromophenyl)propoxy]-5-piperidin-1-ylcyclopentan-1-ol
SMILESOC1C(OCCCc2ccc(Br)cc2)CCC1N1CCCCC1
InChIInChI=1S/C19H28BrNO2/c20-16-8-6-15(7-9-16)5-4-14-23-18-11-10-17(19(18)22)21-12-2-1-3-13-21/h6-9,17-19,22H,1-5,10-14H2
InChIKeyHQURVJWKGRVVBR-UHFFFAOYSA-N
XLogP3.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)propoxy]-5-piperidin-1-ylcyclopentan-1-ol?
The IUPAC name of 2-[3-(4-bromophenyl)propoxy]-5-piperidin-1-ylcyclopentan-1-ol (CID 19995814) is 2-[3-(4-bromophenyl)propoxy]-5-piperidin-1-ylcyclopentan-1-ol.
What is the SMILES notation for 2-[3-(4-bromophenyl)propoxy]-5-piperidin-1-ylcyclopentan-1-ol?
The canonical SMILES for 2-[3-(4-bromophenyl)propoxy]-5-piperidin-1-ylcyclopentan-1-ol is OC1C(OCCCc2ccc(Br)cc2)CCC1N1CCCCC1.
What is the InChIKey of 2-[3-(4-bromophenyl)propoxy]-5-piperidin-1-ylcyclopentan-1-ol?
The InChIKey is HQURVJWKGRVVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrNO2/c20-16-8-6-15(7-9-16)5-4-14-23-18-11-10-17(19(18)22)21-12-2-1-3-13-21/h6-9,17-19,22H,1-5,10-14H2.
What are the key properties of 2-[3-(4-bromophenyl)propoxy]-5-piperidin-1-ylcyclopentan-1-ol?
2-[3-(4-bromophenyl)propoxy]-5-piperidin-1-ylcyclopentan-1-ol has a molecular weight of 382.34 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)propoxy]-5-piperidin-1-ylcyclopentan-1-ol is sourced from PubChem (CID 19995814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).