1-[1-[3-amino-3-(2-bromophenyl)propyl]piperidin-4-yl]ethanol

C16H25BrN2O — CID 106837828

IUPAC1-[1-[3-amino-3-(2-bromophenyl)propyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CCC(N)c2ccccc2Br)CC1
InChIInChI=1S/C16H25BrN2O/c1-12(20)13-6-9-19(10-7-13)11-8-16(18)14-4-2-3-5-15(14)17/h2-5,12-13,16,20H,6-11,18H2,1H3
InChIKeyHPRBBSVACMSMBR-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.93
Rot. Bonds5

About 1-[1-[3-amino-3-(2-bromophenyl)propyl]piperidin-4-yl]ethanol

1-[1-[3-amino-3-(2-bromophenyl)propyl]piperidin-4-yl]ethanol (PubChem CID 106837828) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-[1-[3-amino-3-(2-bromophenyl)propyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-amino-3-(2-bromophenyl)propyl]piperidin-4-yl]ethanol
PubChem CID106837828
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-[1-[3-amino-3-(2-bromophenyl)propyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CCC(N)c2ccccc2Br)CC1
InChIInChI=1S/C16H25BrN2O/c1-12(20)13-6-9-19(10-7-13)11-8-16(18)14-4-2-3-5-15(14)17/h2-5,12-13,16,20H,6-11,18H2,1H3
InChIKeyHPRBBSVACMSMBR-UHFFFAOYSA-N
XLogP2.93
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62630612
3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine
CID 55098260
1-(2-bromophenyl)-3-morpholin-4-ylpropan-1-amine
CID 55098547
1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine
CID 62625582
[1-[3-amino-3-(2-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789551
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(2-bromophenyl)propan-1-amine
CID 63151606
1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol
CID 112629124
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)propan-1-amine
CID 79917237
1-(2-bromophenyl)-3-(7,7-dimethyl-1,4-thiazepan-4-yl)propan-1-amine
CID 107459371
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
1-(2-bromophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-amine
CID 55098553
1-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62625599

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-amino-3-(2-bromophenyl)propyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[3-amino-3-(2-bromophenyl)propyl]piperidin-4-yl]ethanol (CID 106837828) is 1-[1-[3-amino-3-(2-bromophenyl)propyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[3-amino-3-(2-bromophenyl)propyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[3-amino-3-(2-bromophenyl)propyl]piperidin-4-yl]ethanol is CC(O)C1CCN(CCC(N)c2ccccc2Br)CC1.
What is the InChIKey of 1-[1-[3-amino-3-(2-bromophenyl)propyl]piperidin-4-yl]ethanol?
The InChIKey is HPRBBSVACMSMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-12(20)13-6-9-19(10-7-13)11-8-16(18)14-4-2-3-5-15(14)17/h2-5,12-13,16,20H,6-11,18H2,1H3.
What are the key properties of 1-[1-[3-amino-3-(2-bromophenyl)propyl]piperidin-4-yl]ethanol?
1-[1-[3-amino-3-(2-bromophenyl)propyl]piperidin-4-yl]ethanol has a molecular weight of 341.29 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-amino-3-(2-bromophenyl)propyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106837828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).