1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride

C12H25ClN2O2 — CID 119376332

IUPAC1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride
SMILESCCCCOC(C)C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-3-4-9-16-10(2)12(15)14-7-5-11(13)6-8-14;/h10-11H,3-9,13H2,1-2H3;1H
InChIKeyPPRQZXOOENUDGW-UHFFFAOYSA-N
MW264.80 g/mol
LogP1.56
Rot. Bonds5

About 1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride

1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride (PubChem CID 119376332) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride
PubChem CID119376332
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride
SMILESCCCCOC(C)C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-3-4-9-16-10(2)12(15)14-7-5-11(13)6-8-14;/h10-11H,3-9,13H2,1-2H3;1H
InChIKeyPPRQZXOOENUDGW-UHFFFAOYSA-N
XLogP1.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one
CID 119412902
2-butoxy-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119546364
2-butoxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119624880
1-[(3S)-3-aminopyrrolidin-1-yl]-2-but-3-enoxypropan-1-one;hydrochloride
CID 119934596
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-butoxypropan-1-one;hydrochloride
CID 119634107
(2R)-2-butoxy-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 124732296
(2R)-2-butoxy-1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95758847
2-butoxy-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119580184
2-butoxy-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 48675846
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
1-(4-aminopiperidin-1-yl)ethanone;pentane
CID 142969821
1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one
CID 119374175

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride (CID 119376332) is 1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride is CCCCOC(C)C(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride?
The InChIKey is PPRQZXOOENUDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-3-4-9-16-10(2)12(15)14-7-5-11(13)6-8-14;/h10-11H,3-9,13H2,1-2H3;1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride?
1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride is sourced from PubChem (CID 119376332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).