[4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride

C13H27Cl2N3O — CID 119958508

IUPAC[4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride
SMILESCN(C)C1CCN(C(=O)[C@@H]2CCCCN2)CC1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-15(2)11-6-9-16(10-7-11)13(17)12-5-3-4-8-14-12;;/h11-12,14H,3-10H2,1-2H3;2*1H/t12-;;/m0../s1
InChIKeyFLHTZXSWYFALRK-LTCKWSDVSA-N
MW312.29 g/mol
LogP1.52
Rot. Bonds2

About [4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride

[4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride (PubChem CID 119958508) has the molecular formula C13H27Cl2N3O and a molecular weight of 312.29 g/mol. Its IUPAC name is [4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride
PubChem CID119958508
Molecular FormulaC13H27Cl2N3O
Molecular Weight312.29 g/mol
Exact Mass311.15
IUPAC Name[4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride
SMILESCN(C)C1CCN(C(=O)[C@@H]2CCCCN2)CC1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-15(2)11-6-9-16(10-7-11)13(17)12-5-3-4-8-14-12;;/h11-12,14H,3-10H2,1-2H3;2*1H/t12-;;/m0../s1
InChIKeyFLHTZXSWYFALRK-LTCKWSDVSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913920
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
N,N-dimethyl-1-[(2S)-piperidine-2-carbonyl]piperidine-4-carboxamide;hydrochloride
CID 119687527
N,N-dimethyl-1-[(2S)-piperidine-2-carbonyl]piperidine-4-carboxamide
CID 93370935
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
[4-(1-hydroxyethyl)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119769016
(4-aminopiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 154266528
[(2R)-piperidin-2-yl]-thiomorpholin-4-ylmethanone
CID 28787415

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride?
The IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride (CID 119958508) is [4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride.
What is the SMILES notation for [4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride?
The canonical SMILES for [4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride is CN(C)C1CCN(C(=O)[C@@H]2CCCCN2)CC1.Cl.Cl.
What is the InChIKey of [4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride?
The InChIKey is FLHTZXSWYFALRK-LTCKWSDVSA-N. The full InChI is InChI=1S/C13H25N3O.2ClH/c1-15(2)11-6-9-16(10-7-11)13(17)12-5-3-4-8-14-12;;/h11-12,14H,3-10H2,1-2H3;2*1H/t12-;;/m0../s1.
What are the key properties of [4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride?
[4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride has a molecular weight of 312.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride is sourced from PubChem (CID 119958508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).