[1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

C16H30N2O3 — CID 82015373

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESCC1CCC(CN)(C(=O)N2CCC(OCCO)CC2)CC1
InChIInChI=1S/C16H30N2O3/c1-13-2-6-16(12-17,7-3-13)15(20)18-8-4-14(5-9-18)21-11-10-19/h13-14,19H,2-12,17H2,1H3
InChIKeyQGZOHKLNYQNDCZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.14
Rot. Bonds5

About [1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

[1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (PubChem CID 82015373) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
PubChem CID82015373
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESCC1CCC(CN)(C(=O)N2CCC(OCCO)CC2)CC1
InChIInChI=1S/C16H30N2O3/c1-13-2-6-16(12-17,7-3-13)15(20)18-8-4-14(5-9-18)21-11-10-19/h13-14,19H,2-12,17H2,1H3
InChIKeyQGZOHKLNYQNDCZ-UHFFFAOYSA-N
XLogP1.14
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 115441480
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 113310414
[1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 115442204
[4-(2-hydroxyethoxy)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 82691361
[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106669058
[1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone
CID 102957592
[1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone
CID 80588739
1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile
CID 82695487
[1-(aminomethyl)-4-methylcyclohexyl]-(4-prop-2-enylpiperazin-1-yl)methanone
CID 115441875
2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 104678575
[4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone
CID 82701030
[4-(2-hydroxyethoxy)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 82696089

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (CID 82015373) is [1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is CC1CCC(CN)(C(=O)N2CCC(OCCO)CC2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The InChIKey is QGZOHKLNYQNDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-13-2-6-16(12-17,7-3-13)15(20)18-8-4-14(5-9-18)21-11-10-19/h13-14,19H,2-12,17H2,1H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
[1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone has a molecular weight of 298.43 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 82015373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).