[4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone

C18H34N2O — CID 107159918

IUPAC[4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone
SMILESCC1(CN)CCN(C(=O)C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O/c1-17(2,3)15-7-5-14(6-8-15)16(21)20-11-9-18(4,13-19)10-12-20/h14-15H,5-13,19H2,1-4H3
InChIKeyXWKKDIFBEJGHSW-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.43
Rot. Bonds2

About [4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone

[4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone (PubChem CID 107159918) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is [4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone
PubChem CID107159918
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name[4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone
SMILESCC1(CN)CCN(C(=O)C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O/c1-17(2,3)15-7-5-14(6-8-15)16(21)20-11-9-18(4,13-19)10-12-20/h14-15H,5-13,19H2,1-4H3
InChIKeyXWKKDIFBEJGHSW-UHFFFAOYSA-N
XLogP3.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 107159946
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone
CID 114226111
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 120806071
(4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane
CID 164918983
(3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone
CID 62717919
(4-amino-4-methylpiperidin-1-yl)-cyclopropylmethanone;hydrochloride
CID 130809222
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 120805422
(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone
CID 158049756
(3-aminocyclopentyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 66009012
1-(4-tert-butylcyclohexanecarbonyl)-3-ethylpiperidin-4-one
CID 114508264
3-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 81489049
[3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162410

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone?
The IUPAC name of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone (CID 107159918) is [4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone.
What is the SMILES notation for [4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone?
The canonical SMILES for [4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone is CC1(CN)CCN(C(=O)C2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone?
The InChIKey is XWKKDIFBEJGHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-17(2,3)15-7-5-14(6-8-15)16(21)20-11-9-18(4,13-19)10-12-20/h14-15H,5-13,19H2,1-4H3.
What are the key properties of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone?
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone has a molecular weight of 294.48 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone is sourced from PubChem (CID 107159918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).