1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride

C14H27ClN2O3 — CID 119664585

IUPAC1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)COCC2CC2)CC1
InChIInChI=1S/C14H26N2O3.ClH/c15-6-1-9-19-13-4-7-16(8-5-13)14(17)11-18-10-12-2-3-12;/h12-13H,1-11,15H2;1H
InChIKeySFXACANSVHHFLW-UHFFFAOYSA-N
MW306.83 g/mol
LogP1.19
Rot. Bonds8

About 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride (PubChem CID 119664585) has the molecular formula C14H27ClN2O3 and a molecular weight of 306.83 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride
PubChem CID119664585
Molecular FormulaC14H27ClN2O3
Molecular Weight306.83 g/mol
Exact Mass306.17
IUPAC Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)COCC2CC2)CC1
InChIInChI=1S/C14H26N2O3.ClH/c15-6-1-9-19-13-4-7-16(8-5-13)14(17)11-18-10-12-2-3-12;/h12-13H,1-11,15H2;1H
InChIKeySFXACANSVHHFLW-UHFFFAOYSA-N
XLogP1.19
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.83
LogP ≤ 51.19
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-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 119664051
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one
CID 79736848
[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79735842
1-[4-(3-aminopropoxy)piperidin-1-yl]-3,5-dimethylhexan-1-one;hydrochloride
CID 119663849
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone;hydrochloride
CID 119664033
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide
CID 79735173
1-[4-(2-aminoethoxy)piperidin-1-yl]-2-prop-2-ynoxyethanone
CID 170636843
1-[4-(3-aminopropoxy)piperidin-1-yl]-5-methylsulfanylpentan-1-one;hydrochloride
CID 119662263
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 119661488
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
[4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 79732328

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride?
The IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride (CID 119664585) is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride is Cl.NCCCOC1CCN(C(=O)COCC2CC2)CC1.
What is the InChIKey of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride?
The InChIKey is SFXACANSVHHFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3.ClH/c15-6-1-9-19-13-4-7-16(8-5-13)14(17)11-18-10-12-2-3-12;/h12-13H,1-11,15H2;1H.
What are the key properties of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride?
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride has a molecular weight of 306.83 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride is sourced from PubChem (CID 119664585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).