N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine

C12H23BrN2 — CID 63849110

IUPACN-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine
SMILESC=C(Br)CN1CCC(CNC(C)C)CC1
InChIInChI=1S/C12H23BrN2/c1-10(2)14-8-12-4-6-15(7-5-12)9-11(3)13/h10,12,14H,3-9H2,1-2H3
InChIKeyJIMUYQPDUYBEOC-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.61
Rot. Bonds5

About N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine

N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine (PubChem CID 63849110) has the molecular formula C12H23BrN2 and a molecular weight of 275.23 g/mol. Its IUPAC name is N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine
PubChem CID63849110
Molecular FormulaC12H23BrN2
Molecular Weight275.23 g/mol
Exact Mass274.10
IUPAC NameN-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine
SMILESC=C(Br)CN1CCC(CNC(C)C)CC1
InChIInChI=1S/C12H23BrN2/c1-10(2)14-8-12-4-6-15(7-5-12)9-11(3)13/h10,12,14H,3-9H2,1-2H3
InChIKeyJIMUYQPDUYBEOC-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine
CID 114476807
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63847542
N-methyl-N-propan-2-yl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848072
N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63847192
1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63849279
N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848069
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591322
[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol
CID 103069109
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070719
1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 66569294
ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 156795417
N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241265

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine (CID 63849110) is N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine is C=C(Br)CN1CCC(CNC(C)C)CC1.
What is the InChIKey of N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is JIMUYQPDUYBEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN2/c1-10(2)14-8-12-4-6-15(7-5-12)9-11(3)13/h10,12,14H,3-9H2,1-2H3.
What are the key properties of N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine?
N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 275.23 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 63849110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).