1-(3-bromopropyl)-4-methylpiperidin-3-ol

C9H18BrNO — CID 102964330

IUPAC1-(3-bromopropyl)-4-methylpiperidin-3-ol
SMILESCC1CCN(CCCBr)CC1O
InChIInChI=1S/C9H18BrNO/c1-8-3-6-11(5-2-4-10)7-9(8)12/h8-9,12H,2-7H2,1H3
InChIKeyQXKCNQOCYCOVQE-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.47
Rot. Bonds3

About 1-(3-bromopropyl)-4-methylpiperidin-3-ol

1-(3-bromopropyl)-4-methylpiperidin-3-ol (PubChem CID 102964330) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is 1-(3-bromopropyl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(3-bromopropyl)-4-methylpiperidin-3-ol
PubChem CID102964330
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name1-(3-bromopropyl)-4-methylpiperidin-3-ol
SMILESCC1CCN(CCCBr)CC1O
InChIInChI=1S/C9H18BrNO/c1-8-3-6-11(5-2-4-10)7-9(8)12/h8-9,12H,2-7H2,1H3
InChIKeyQXKCNQOCYCOVQE-UHFFFAOYSA-N
XLogP1.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(9-bromononyl)pyrrolidin-3-ol
CID 105343751
1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol
CID 102964300
5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 103897919
4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol
CID 103898055
(3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol
CID 142979977
1-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-3-methylpiperazin-2-one;dihydrochloride
CID 66999280
(3S,4R)-1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propyl]-4-methylpiperidin-3-ol
CID 154412257
4-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-2-methyl-3-oxopiperazine-1-carboxylic acid
CID 68540290
4-(3-hydroxy-4-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide
CID 102959899
1-pentylpiperidine-3,4-diol
CID 69410100
(3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol
CID 124862124
4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol
CID 102959658

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(3-bromopropyl)-4-methylpiperidin-3-ol (CID 102964330) is 1-(3-bromopropyl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(3-bromopropyl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(3-bromopropyl)-4-methylpiperidin-3-ol is CC1CCN(CCCBr)CC1O.
What is the InChIKey of 1-(3-bromopropyl)-4-methylpiperidin-3-ol?
The InChIKey is QXKCNQOCYCOVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-8-3-6-11(5-2-4-10)7-9(8)12/h8-9,12H,2-7H2,1H3.
What are the key properties of 1-(3-bromopropyl)-4-methylpiperidin-3-ol?
1-(3-bromopropyl)-4-methylpiperidin-3-ol has a molecular weight of 236.15 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 102964330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).