(3,5-dimethyl-1-adamantyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride

C21H37ClN2O — CID 119644766

IUPAC(3,5-dimethyl-1-adamantyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)CC1.Cl
InChIInChI=1S/C21H36N2O.ClH/c1-4-22-12-16-5-7-23(8-6-16)18(24)21-11-17-9-19(2,14-21)13-20(3,10-17)15-21;/h16-17,22H,4-15H2,1-3H3;1H
InChIKeyCVSUHERVAABRNA-UHFFFAOYSA-N
MW368.99 g/mol
LogP4.25
Rot. Bonds4

About (3,5-dimethyl-1-adamantyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride

(3,5-dimethyl-1-adamantyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119644766) has the molecular formula C21H37ClN2O and a molecular weight of 368.99 g/mol. Its IUPAC name is (3,5-dimethyl-1-adamantyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethyl-1-adamantyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119644766
Molecular FormulaC21H37ClN2O
Molecular Weight368.99 g/mol
Exact Mass368.26
IUPAC Name(3,5-dimethyl-1-adamantyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)CC1.Cl
InChIInChI=1S/C21H36N2O.ClH/c1-4-22-12-16-5-7-23(8-6-16)18(24)21-11-17-9-19(2,14-21)13-20(3,10-17)15-21;/h16-17,22H,4-15H2,1-3H3;1H
InChIKeyCVSUHERVAABRNA-UHFFFAOYSA-N
XLogP4.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.99
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromopiperidin-1-yl)-(3,5-dimethyl-1-adamantyl)methanone
CID 80655445
(3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79423039
(3,5-dimethyl-1-adamantyl)-(4-methylpiperazin-1-yl)methanone chloride
CID 53351415
(3,5-dimethyl-1-adamantyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6468261
[(3R,5R)-3,5-dimethyl-1-adamantyl]-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone
CID 98262293
(3,5-dimethyl-1-adamantyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 119564263
[4-(ethylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone
CID 119647399
1-(azepan-1-yl)-2-[4-(3,5-dimethyladamantane-1-carbonyl)piperazin-1-yl]ethanone
CID 112799001
[(3R,5R)-3,5-dimethyl-1-adamantyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 98211204
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclobutyl]methanone
CID 119645218
cyclopropyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552531
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
CID 119645863

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-adamantyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3,5-dimethyl-1-adamantyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119644766) is (3,5-dimethyl-1-adamantyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3,5-dimethyl-1-adamantyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3,5-dimethyl-1-adamantyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CCNCC1CCN(C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)CC1.Cl.
What is the InChIKey of (3,5-dimethyl-1-adamantyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is CVSUHERVAABRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O.ClH/c1-4-22-12-16-5-7-23(8-6-16)18(24)21-11-17-9-19(2,14-21)13-20(3,10-17)15-21;/h16-17,22H,4-15H2,1-3H3;1H.
What are the key properties of (3,5-dimethyl-1-adamantyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
(3,5-dimethyl-1-adamantyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 368.99 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-adamantyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119644766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).