2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone

C15H29N3O — CID 107160703

IUPAC2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone
SMILESCC1(CN)CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-15(13-16)6-10-17(11-7-15)12-14(19)18-8-4-2-3-5-9-18/h2-13,16H2,1H3
InChIKeySVIJNRHNUTZHPB-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.45
Rot. Bonds3

About 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone

2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone (PubChem CID 107160703) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone
PubChem CID107160703
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone
SMILESCC1(CN)CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-15(13-16)6-10-17(11-7-15)12-14(19)18-8-4-2-3-5-9-18/h2-13,16H2,1H3
InChIKeySVIJNRHNUTZHPB-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Piperazin-1-ylacetyl)azepane
CID 7131459
1-(Azepan-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 39903907
N-[2-(4,4-diethylazepan-1-yl)-2-oxoethyl]acetamide
CID 91651493
2-Amino-1-(4-(fluoromethyl)-4-methylpiperidin-1-yl)ethan-1-one
CID 121203168
1-(4-(Fluoromethyl)-4-methylpiperidin-1-yl)-2-(methylamino)ethan-1-one
CID 121203169
1-[4-(Aminomethyl)-4-(trifluoromethyl)piperidin-1-yl]-2-(dimethylamino)ethan-1-one
CID 165488010
2-(Dimethylamino)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 18723055
2-(4,4-dimethylpiperidin-1-yl)-N-methylacetamide
CID 18736342
2-Amino-1-(3,3-dimethylpiperidin-1-yl)ethanone
CID 19709561
4-(5,5-Dimethylhexyl)piperazin-2-one
CID 21304858
2-Amino-1-(4-ethylpiperidin-1-yl)ethanone
CID 22027822
2-Amino-1-(4-methylpiperidin-1-yl)ethanone
CID 22690335

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone?
The IUPAC name of 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone (CID 107160703) is 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone?
The canonical SMILES for 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone is CC1(CN)CCN(CC(=O)N2CCCCCC2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone?
The InChIKey is SVIJNRHNUTZHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-15(13-16)6-10-17(11-7-15)12-14(19)18-8-4-2-3-5-9-18/h2-13,16H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone?
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone is sourced from PubChem (CID 107160703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).