ethane;methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)methyl]piperidin-2-yl]acetate

C16H26BrN3O2 — CID 144568176

IUPACethane;methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)methyl]piperidin-2-yl]acetate
SMILESCC.COC(=O)CC1CCCCN1Cc1cc(Br)cnc1N
InChIInChI=1S/C14H20BrN3O2.C2H6/c1-20-13(19)7-12-4-2-3-5-18(12)9-10-6-11(15)8-17-14(10)16;1-2/h6,8,12H,2-5,7,9H2,1H3,(H2,16,17);1-2H3
InChIKeyDBWODBBPCPYBND-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.37
Rot. Bonds4

About ethane;methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)methyl]piperidin-2-yl]acetate

ethane;methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)methyl]piperidin-2-yl]acetate (PubChem CID 144568176) has the molecular formula C16H26BrN3O2 and a molecular weight of 372.31 g/mol. Its IUPAC name is ethane;methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)methyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethane;methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)methyl]piperidin-2-yl]acetate
PubChem CID144568176
Molecular FormulaC16H26BrN3O2
Molecular Weight372.31 g/mol
Exact Mass371.12
IUPAC Nameethane;methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)methyl]piperidin-2-yl]acetate
SMILESCC.COC(=O)CC1CCCCN1Cc1cc(Br)cnc1N
InChIInChI=1S/C14H20BrN3O2.C2H6/c1-20-13(19)7-12-4-2-3-5-18(12)9-10-6-11(15)8-17-14(10)16;1-2/h6,8,12H,2-5,7,9H2,1H3,(H2,16,17);1-2H3
InChIKeyDBWODBBPCPYBND-UHFFFAOYSA-N
XLogP3.37
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-[(2-bromo-5-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 65327147
methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate
CID 62026011
methyl 2-[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]acetate
CID 61360606
methyl 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate
CID 84593667
methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 61361829
methyl 2-[1-[(4-cyano-2-methylphenyl)methyl]piperidin-2-yl]acetate
CID 114485226
methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate
CID 78969714
methyl 2-[1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-2-yl]acetate
CID 106270339
methyl 2-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]acetate
CID 62028859
methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 62028081
methyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
CID 62026007
methyl 2-[(2S)-1-[(2-cyano-5-fluorophenyl)methyl]pyrrolidin-2-yl]acetate
CID 129397792

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)methyl]piperidin-2-yl]acetate?
The IUPAC name of ethane;methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)methyl]piperidin-2-yl]acetate (CID 144568176) is ethane;methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)methyl]piperidin-2-yl]acetate.
What is the SMILES notation for ethane;methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)methyl]piperidin-2-yl]acetate?
The canonical SMILES for ethane;methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)methyl]piperidin-2-yl]acetate is CC.COC(=O)CC1CCCCN1Cc1cc(Br)cnc1N.
What is the InChIKey of ethane;methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)methyl]piperidin-2-yl]acetate?
The InChIKey is DBWODBBPCPYBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2.C2H6/c1-20-13(19)7-12-4-2-3-5-18(12)9-10-6-11(15)8-17-14(10)16;1-2/h6,8,12H,2-5,7,9H2,1H3,(H2,16,17);1-2H3.
What are the key properties of ethane;methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)methyl]piperidin-2-yl]acetate?
ethane;methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)methyl]piperidin-2-yl]acetate has a molecular weight of 372.31 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)methyl]piperidin-2-yl]acetate is sourced from PubChem (CID 144568176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).