3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine

C11H21BrN2O — CID 79737370

IUPAC3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine
SMILESC=C(Br)CN1CCC(OCCCN)CC1
InChIInChI=1S/C11H21BrN2O/c1-10(12)9-14-6-3-11(4-7-14)15-8-2-5-13/h11H,1-9,13H2
InChIKeyNYESJBHRXRIUIU-UHFFFAOYSA-N
MW277.21 g/mol
LogP1.72
Rot. Bonds6

About 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine

3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine (PubChem CID 79737370) has the molecular formula C11H21BrN2O and a molecular weight of 277.21 g/mol. Its IUPAC name is 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine
PubChem CID79737370
Molecular FormulaC11H21BrN2O
Molecular Weight277.21 g/mol
Exact Mass276.08
IUPAC Name3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine
SMILESC=C(Br)CN1CCC(OCCCN)CC1
InChIInChI=1S/C11H21BrN2O/c1-10(12)9-14-6-3-11(4-7-14)15-8-2-5-13/h11H,1-9,13H2
InChIKeyNYESJBHRXRIUIU-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 51.72
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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Related Compounds

3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid
CID 63904193
3-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-ol
CID 79735052
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 79735210
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide
CID 79737359
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-cyclopentylacetamide
CID 79737212
5-[4-(3-aminopropoxy)piperidin-1-yl]pentanamide
CID 114281721
3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid
CID 79737054
ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate
CID 79736925
3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine
CID 79736553
3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide
CID 79735235
1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
CID 96979784
3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxypropan-1-amine
CID 113326655

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine (CID 79737370) is 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine is C=C(Br)CN1CCC(OCCCN)CC1.
What is the InChIKey of 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine?
The InChIKey is NYESJBHRXRIUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2O/c1-10(12)9-14-6-3-11(4-7-14)15-8-2-5-13/h11H,1-9,13H2.
What are the key properties of 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine?
3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine has a molecular weight of 277.21 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79737370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).