1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine

C9H17BrN2 — CID 115313002

IUPAC1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine
SMILESC=C(Br)CN1CCC(N)CC1C
InChIInChI=1S/C9H17BrN2/c1-7(10)6-12-4-3-9(11)5-8(12)2/h8-9H,1,3-6,11H2,2H3
InChIKeyUYBGGQBXIAJGEV-UHFFFAOYSA-N
MW233.15 g/mol
LogP1.71
Rot. Bonds2

About 1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine

1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine (PubChem CID 115313002) has the molecular formula C9H17BrN2 and a molecular weight of 233.15 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine
PubChem CID115313002
Molecular FormulaC9H17BrN2
Molecular Weight233.15 g/mol
Exact Mass232.06
IUPAC Name1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine
SMILESC=C(Br)CN1CCC(N)CC1C
InChIInChI=1S/C9H17BrN2/c1-7(10)6-12-4-3-9(11)5-8(12)2/h8-9H,1,3-6,11H2,2H3
InChIKeyUYBGGQBXIAJGEV-UHFFFAOYSA-N
XLogP1.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methylprop-2-enyl)-2-methylpiperidin-4-amine
CID 106439515
propan-2-yl 2-(4-amino-2-methylpiperidin-1-yl)acetate
CID 115313197
1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine
CID 130993309
2-(4-amino-2-methylpiperidin-1-yl)-N-prop-2-ynylacetamide
CID 115313218
2-(4-amino-2-methylpiperidin-1-yl)acetonitrile
CID 115313042
[1-(2-bromoprop-2-enyl)-6-methylpiperidin-3-yl]methanol
CID 130693350
1-(4-amino-2-methylpiperidin-1-yl)-3-cyclopentylpropan-2-ol
CID 103160911
4-(2-bromoprop-2-enyl)-3-methyl-1,4-oxazepane
CID 130739918
2-(4-amino-2-methylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide
CID 115313084
1-[2-(cyclopropylmethoxy)ethyl]-2-methylpiperidin-4-amine
CID 103821324
methyl 4-(4-amino-2-methylpiperidin-1-yl)butanoate
CID 115313229
2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 116616987

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine?
The IUPAC name of 1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine (CID 115313002) is 1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine is C=C(Br)CN1CCC(N)CC1C.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine?
The InChIKey is UYBGGQBXIAJGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN2/c1-7(10)6-12-4-3-9(11)5-8(12)2/h8-9H,1,3-6,11H2,2H3.
What are the key properties of 1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine?
1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine has a molecular weight of 233.15 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine is sourced from PubChem (CID 115313002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).