1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one;hydrochloride

C15H29ClN2O3 — CID 119434650

IUPAC1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)CCOCC1CCCO1.Cl
InChIInChI=1S/C15H28N2O3.ClH/c1-12(16)14-6-2-3-8-17(14)15(18)7-10-19-11-13-5-4-9-20-13;/h12-14H,2-11,16H2,1H3;1H
InChIKeySLGDMJVEURPIJM-UHFFFAOYSA-N
MW320.86 g/mol
LogP1.72
Rot. Bonds6

About 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one;hydrochloride

1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one;hydrochloride (PubChem CID 119434650) has the molecular formula C15H29ClN2O3 and a molecular weight of 320.86 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one;hydrochloride
PubChem CID119434650
Molecular FormulaC15H29ClN2O3
Molecular Weight320.86 g/mol
Exact Mass320.19
IUPAC Name1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)CCOCC1CCCO1.Cl
InChIInChI=1S/C15H28N2O3.ClH/c1-12(16)14-6-2-3-8-17(14)15(18)7-10-19-11-13-5-4-9-20-13;/h12-14H,2-11,16H2,1H3;1H
InChIKeySLGDMJVEURPIJM-UHFFFAOYSA-N
XLogP1.72
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 65160190
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 119259949
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one
CID 119631117
(2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid
CID 129467409
(2S)-1-[3-[[(2S)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid
CID 129467574
1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2S)-oxolan-2-yl]methoxy]propan-1-one
CID 95762384
1-[2-(1-aminoethyl)piperidin-1-yl]pentan-1-one
CID 63255456
4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
CID 119435674
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
3-(oxan-2-ylmethoxy)propanamide
CID 22444989
oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530
1-[2-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119435731

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one;hydrochloride?
The IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one;hydrochloride (CID 119434650) is 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one;hydrochloride is CC(N)C1CCCCN1C(=O)CCOCC1CCCO1.Cl.
What is the InChIKey of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one;hydrochloride?
The InChIKey is SLGDMJVEURPIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3.ClH/c1-12(16)14-6-2-3-8-17(14)15(18)7-10-19-11-13-5-4-9-20-13;/h12-14H,2-11,16H2,1H3;1H.
What are the key properties of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one;hydrochloride?
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one;hydrochloride has a molecular weight of 320.86 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one;hydrochloride is sourced from PubChem (CID 119434650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).