[4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride

C20H31ClN2O2 — CID 120936915

IUPAC[4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride
SMILESCCC1CN(C(=O)C2(CN)CCOCC2)CCC1c1ccccc1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-2-16-14-22(11-8-18(16)17-6-4-3-5-7-17)19(23)20(15-21)9-12-24-13-10-20;/h3-7,16,18H,2,8-15,21H2,1H3;1H
InChIKeyWOKQVOPXMNJAKD-UHFFFAOYSA-N
MW366.93 g/mol
LogP3.21
Rot. Bonds4

About [4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride

[4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 120936915) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride
PubChem CID120936915
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride
SMILESCCC1CN(C(=O)C2(CN)CCOCC2)CCC1c1ccccc1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-2-16-14-22(11-8-18(16)17-6-4-3-5-7-17)19(23)20(15-21)9-12-24-13-10-20;/h3-7,16,18H,2,8-15,21H2,1H3;1H
InChIKeyWOKQVOPXMNJAKD-UHFFFAOYSA-N
XLogP3.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride 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)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 120921219
[4-(aminomethyl)oxan-4-yl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120930200
[4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 120931313
[4-(aminomethyl)oxan-4-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624832
(2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119817662
(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
CID 115439749
2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 71866626
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one
CID 119817681
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one
CID 120502202
[4-(3-fluorophenyl)oxan-4-yl]-[(3R,4R)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]methanone
CID 126797777
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119817666
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-ethylcyclopropyl)methanone
CID 120748870

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride (CID 120936915) is [4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride is CCC1CN(C(=O)C2(CN)CCOCC2)CCC1c1ccccc1.Cl.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is WOKQVOPXMNJAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2.ClH/c1-2-16-14-22(11-8-18(16)17-6-4-3-5-7-17)19(23)20(15-21)9-12-24-13-10-20;/h3-7,16,18H,2,8-15,21H2,1H3;1H.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride?
[4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 366.93 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120936915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).