2-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-N-methylethanamine;hydrochloride

C14H31ClN2O — CID 120843554

IUPAC2-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-N-methylethanamine;hydrochloride
SMILESCNCCC1CCN(CC(C)(C)COC)CC1.Cl
InChIInChI=1S/C14H30N2O.ClH/c1-14(2,12-17-4)11-16-9-6-13(7-10-16)5-8-15-3;/h13,15H,5-12H2,1-4H3;1H
InChIKeyCHNOCDCFPHUDDZ-UHFFFAOYSA-N
MW278.87 g/mol
LogP2.40
Rot. Bonds7

About 2-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-N-methylethanamine;hydrochloride

2-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-N-methylethanamine;hydrochloride (PubChem CID 120843554) has the molecular formula C14H31ClN2O and a molecular weight of 278.87 g/mol. Its IUPAC name is 2-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-N-methylethanamine;hydrochloride
PubChem CID120843554
Molecular FormulaC14H31ClN2O
Molecular Weight278.87 g/mol
Exact Mass278.21
IUPAC Name2-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-N-methylethanamine;hydrochloride
SMILESCNCCC1CCN(CC(C)(C)COC)CC1.Cl
InChIInChI=1S/C14H30N2O.ClH/c1-14(2,12-17-4)11-16-9-6-13(7-10-16)5-8-15-3;/h13,15H,5-12H2,1-4H3;1H
InChIKeyCHNOCDCFPHUDDZ-UHFFFAOYSA-N
XLogP2.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.87
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine
CID 22236505
methyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride
CID 120843527
N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 63973765
1-(3-methoxy-2,2-dimethylpropyl)-N-methylpiperidin-3-amine
CID 120838017
3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride
CID 71757519
N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine
CID 64583581
N-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine
CID 62257753
1-(3-methoxy-2,2-dimethylpropyl)-3-methylpiperazine;hydrochloride
CID 120840258
N,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine
CID 114526027
2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride
CID 120718277
N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride
CID 17221589
2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine
CID 120966696

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-N-methylethanamine;hydrochloride?
The IUPAC name of 2-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-N-methylethanamine;hydrochloride (CID 120843554) is 2-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-N-methylethanamine;hydrochloride is CNCCC1CCN(CC(C)(C)COC)CC1.Cl.
What is the InChIKey of 2-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-N-methylethanamine;hydrochloride?
The InChIKey is CHNOCDCFPHUDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O.ClH/c1-14(2,12-17-4)11-16-9-6-13(7-10-16)5-8-15-3;/h13,15H,5-12H2,1-4H3;1H.
What are the key properties of 2-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-N-methylethanamine;hydrochloride?
2-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-N-methylethanamine;hydrochloride has a molecular weight of 278.87 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-N-methylethanamine;hydrochloride is sourced from PubChem (CID 120843554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).