(2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride

C19H39Cl2N3O2 — CID 119899190

IUPAC(2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)N1CCC(CCN2CC(C)OC(C)C2)CC1.Cl.Cl
InChIInChI=1S/C19H37N3O2.2ClH/c1-14(2)11-18(20)19(23)22-9-6-17(7-10-22)5-8-21-12-15(3)24-16(4)13-21;;/h14-18H,5-13,20H2,1-4H3;2*1H/t15?,16?,18-;;/m0../s1
InChIKeyARQXXPBDKLUGGS-WICWCRKGSA-N
MW412.45 g/mol
LogP2.94
Rot. Bonds6

About (2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride

(2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride (PubChem CID 119899190) has the molecular formula C19H39Cl2N3O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride
PubChem CID119899190
Molecular FormulaC19H39Cl2N3O2
Molecular Weight412.45 g/mol
Exact Mass411.24
IUPAC Name(2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)N1CCC(CCN2CC(C)OC(C)C2)CC1.Cl.Cl
InChIInChI=1S/C19H37N3O2.2ClH/c1-14(2)11-18(20)19(23)22-9-6-17(7-10-22)5-8-21-12-15(3)24-16(4)13-21;;/h14-18H,5-13,20H2,1-4H3;2*1H/t15?,16?,18-;;/m0../s1
InChIKeyARQXXPBDKLUGGS-WICWCRKGSA-N
XLogP2.94
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119730763
(2S)-1-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one
CID 99107255
3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid
CID 62215529
3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503447
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119852066
4-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120597446
2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 47003200
(2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 103812979
[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120638514
2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 119798033
[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120638515
(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 122080878

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride?
The IUPAC name of (2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride (CID 119899190) is (2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride?
The canonical SMILES for (2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride is CC(C)C[C@H](N)C(=O)N1CCC(CCN2CC(C)OC(C)C2)CC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride?
The InChIKey is ARQXXPBDKLUGGS-WICWCRKGSA-N. The full InChI is InChI=1S/C19H37N3O2.2ClH/c1-14(2)11-18(20)19(23)22-9-6-17(7-10-22)5-8-21-12-15(3)24-16(4)13-21;;/h14-18H,5-13,20H2,1-4H3;2*1H/t15?,16?,18-;;/m0../s1.
What are the key properties of (2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride?
(2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride has a molecular weight of 412.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride is sourced from PubChem (CID 119899190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).