2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone

C16H30N2O3 — CID 104678575

IUPAC2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
SMILESNCC1(CC(=O)N2CCC(OCCO)CC2)CCCCC1
InChIInChI=1S/C16H30N2O3/c17-13-16(6-2-1-3-7-16)12-15(20)18-8-4-14(5-9-18)21-11-10-19/h14,19H,1-13,17H2
InChIKeyOAMBARJQUGJYDX-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.29
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone

2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone (PubChem CID 104678575) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
PubChem CID104678575
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
SMILESNCC1(CC(=O)N2CCC(OCCO)CC2)CCCCC1
InChIInChI=1S/C16H30N2O3/c17-13-16(6-2-1-3-7-16)12-15(20)18-8-4-14(5-9-18)21-11-10-19/h14,19H,1-13,17H2
InChIKeyOAMBARJQUGJYDX-UHFFFAOYSA-N
XLogP1.29
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone
CID 104677563
2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone
CID 81172632
2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid
CID 81169643
2-[1-[[1-(aminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol
CID 82690940
2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone
CID 82508182
2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 113440211
2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone
CID 104678183
4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]butan-1-one
CID 82693325
[1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82015373
2-[1-(aminomethyl)cyclohexyl]-1-(3-tert-butylpyrrolidin-1-yl)ethanone
CID 104678657
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperazine-1-sulfonamide
CID 104677903
2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone
CID 81172458

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone (CID 104678575) is 2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone is NCC1(CC(=O)N2CCC(OCCO)CC2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone?
The InChIKey is OAMBARJQUGJYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c17-13-16(6-2-1-3-7-16)12-15(20)18-8-4-14(5-9-18)21-11-10-19/h14,19H,1-13,17H2.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone?
2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone has a molecular weight of 298.43 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 104678575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).