[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride

C20H38ClN3O2 — CID 120638514

IUPAC[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
SMILESCC1CN(CCC2CCN(C(=O)[C@H]3CCN[C@@H](C)C3)CC2)CC(C)O1.Cl
InChIInChI=1S/C20H37N3O2.ClH/c1-15-12-19(4-8-21-15)20(24)23-10-6-18(7-11-23)5-9-22-13-16(2)25-17(3)14-22;/h15-19,21H,4-14H2,1-3H3;1H/t15-,16?,17?,19-;/m0./s1
InChIKeyPRTZGGIJUXAAKZ-TYGDXFEGSA-N
MW388.00 g/mol
LogP2.53
Rot. Bonds4

About [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride

[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride (PubChem CID 120638514) has the molecular formula C20H38ClN3O2 and a molecular weight of 388.00 g/mol. Its IUPAC name is [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
PubChem CID120638514
Molecular FormulaC20H38ClN3O2
Molecular Weight388.00 g/mol
Exact Mass387.27
IUPAC Name[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
SMILESCC1CN(CCC2CCN(C(=O)[C@H]3CCN[C@@H](C)C3)CC2)CC(C)O1.Cl
InChIInChI=1S/C20H37N3O2.ClH/c1-15-12-19(4-8-21-15)20(24)23-10-6-18(7-11-23)5-9-22-13-16(2)25-17(3)14-22;/h15-19,21H,4-14H2,1-3H3;1H/t15-,16?,17?,19-;/m0./s1
InChIKeyPRTZGGIJUXAAKZ-TYGDXFEGSA-N
XLogP2.53
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.00
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120638515
[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119899173
(2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 106740610
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
(2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119899190
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 120637070
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619320
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;hydrochloride
CID 120638003
[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106832199
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
CID 120637071
1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one
CID 120634417

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride?
The IUPAC name of [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride (CID 120638514) is [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride is CC1CN(CCC2CCN(C(=O)[C@H]3CCN[C@@H](C)C3)CC2)CC(C)O1.Cl.
What is the InChIKey of [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride?
The InChIKey is PRTZGGIJUXAAKZ-TYGDXFEGSA-N. The full InChI is InChI=1S/C20H37N3O2.ClH/c1-15-12-19(4-8-21-15)20(24)23-10-6-18(7-11-23)5-9-22-13-16(2)25-17(3)14-22;/h15-19,21H,4-14H2,1-3H3;1H/t15-,16?,17?,19-;/m0./s1.
What are the key properties of [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride?
[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride has a molecular weight of 388.00 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120638514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).