1-[1-(4-bromophenyl)cyclopropyl]piperidin-4-ol

C14H18BrNO — CID 167714055

IUPAC1-[1-(4-bromophenyl)cyclopropyl]piperidin-4-ol
SMILESOC1CCN(C2(c3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C14H18BrNO/c15-12-3-1-11(2-4-12)14(7-8-14)16-9-5-13(17)6-10-16/h1-4,13,17H,5-10H2
InChIKeyRTDQOQSIMPGIEV-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.89
Rot. Bonds2

About 1-[1-(4-bromophenyl)cyclopropyl]piperidin-4-ol

1-[1-(4-bromophenyl)cyclopropyl]piperidin-4-ol (PubChem CID 167714055) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)cyclopropyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)cyclopropyl]piperidin-4-ol
PubChem CID167714055
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name1-[1-(4-bromophenyl)cyclopropyl]piperidin-4-ol
SMILESOC1CCN(C2(c3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C14H18BrNO/c15-12-3-1-11(2-4-12)14(7-8-14)16-9-5-13(17)6-10-16/h1-4,13,17H,5-10H2
InChIKeyRTDQOQSIMPGIEV-UHFFFAOYSA-N
XLogP2.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)cyclopropyl]piperidin-4-ol?
The IUPAC name of 1-[1-(4-bromophenyl)cyclopropyl]piperidin-4-ol (CID 167714055) is 1-[1-(4-bromophenyl)cyclopropyl]piperidin-4-ol.
What is the SMILES notation for 1-[1-(4-bromophenyl)cyclopropyl]piperidin-4-ol?
The canonical SMILES for 1-[1-(4-bromophenyl)cyclopropyl]piperidin-4-ol is OC1CCN(C2(c3ccc(Br)cc3)CC2)CC1.
What is the InChIKey of 1-[1-(4-bromophenyl)cyclopropyl]piperidin-4-ol?
The InChIKey is RTDQOQSIMPGIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c15-12-3-1-11(2-4-12)14(7-8-14)16-9-5-13(17)6-10-16/h1-4,13,17H,5-10H2.
What are the key properties of 1-[1-(4-bromophenyl)cyclopropyl]piperidin-4-ol?
1-[1-(4-bromophenyl)cyclopropyl]piperidin-4-ol has a molecular weight of 296.21 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)cyclopropyl]piperidin-4-ol is sourced from PubChem (CID 167714055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).