N-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride

C13H29ClN2O — CID 115616373

IUPACN-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride
SMILESCOCCN1CCCC(NCC(C)(C)C)C1.Cl
InChIInChI=1S/C13H28N2O.ClH/c1-13(2,3)11-14-12-6-5-7-15(10-12)8-9-16-4;/h12,14H,5-11H2,1-4H3;1H
InChIKeyYAMVCKNDXLNZJV-UHFFFAOYSA-N
MW264.84 g/mol
LogP2.15
Rot. Bonds5

About N-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride

N-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride (PubChem CID 115616373) has the molecular formula C13H29ClN2O and a molecular weight of 264.84 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride
PubChem CID115616373
Molecular FormulaC13H29ClN2O
Molecular Weight264.84 g/mol
Exact Mass264.20
IUPAC NameN-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride
SMILESCOCCN1CCCC(NCC(C)(C)C)C1.Cl
InChIInChI=1S/C13H28N2O.ClH/c1-13(2,3)11-14-12-6-5-7-15(10-12)8-9-16-4;/h12,14H,5-11H2,1-4H3;1H
InChIKeyYAMVCKNDXLNZJV-UHFFFAOYSA-N
XLogP2.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.84
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride
CID 115616375
(3S)-1-(2-methoxyethyl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-3-amine
CID 124859703
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 115608918
3-chloro-1-(2-methoxyethyl)piperidine
CID 63386779
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanol
CID 174389909
(2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane
CID 162375653
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
1-(3-methoxy-2,2-dimethylpropyl)-N-methylpiperidin-3-amine
CID 120838017
N-[1-(2-methoxyethyl)piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 71924081
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanone
CID 63845115
ethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate
CID 83995011
N-(2,2-dimethylpropyl)cyclododecanamine
CID 63452276

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride?
The IUPAC name of N-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride (CID 115616373) is N-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride.
What is the SMILES notation for N-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride?
The canonical SMILES for N-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride is COCCN1CCCC(NCC(C)(C)C)C1.Cl.
What is the InChIKey of N-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride?
The InChIKey is YAMVCKNDXLNZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O.ClH/c1-13(2,3)11-14-12-6-5-7-15(10-12)8-9-16-4;/h12,14H,5-11H2,1-4H3;1H.
What are the key properties of N-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride?
N-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride has a molecular weight of 264.84 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride is sourced from PubChem (CID 115616373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).