4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride

C14H29ClN2O2 — CID 120561009

IUPAC4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride
SMILESCC(C)COC1CCN(C(=O)CCC(C)N)CC1.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-11(2)10-18-13-6-8-16(9-7-13)14(17)5-4-12(3)15;/h11-13H,4-10,15H2,1-3H3;1H
InChIKeyDFGWBRLVQGYCSK-UHFFFAOYSA-N
MW292.85 g/mol
LogP2.20
Rot. Bonds6

About 4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride

4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride (PubChem CID 120561009) has the molecular formula C14H29ClN2O2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride
PubChem CID120561009
Molecular FormulaC14H29ClN2O2
Molecular Weight292.85 g/mol
Exact Mass292.19
IUPAC Name4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride
SMILESCC(C)COC1CCN(C(=O)CCC(C)N)CC1.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-11(2)10-18-13-6-8-16(9-7-13)14(17)5-4-12(3)15;/h11-13H,4-10,15H2,1-3H3;1H
InChIKeyDFGWBRLVQGYCSK-UHFFFAOYSA-N
XLogP2.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid
CID 82851206
5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82010948
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120562620
4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564504
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one
CID 120562621
2-(cyclopropylmethylamino)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
CID 119743037
2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119821813
4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120560088
1-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpentan-1-one
CID 82700911
4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride
CID 120565731
(1-aminocyclopentyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119345338
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride (CID 120561009) is 4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride is CC(C)COC1CCN(C(=O)CCC(C)N)CC1.Cl.
What is the InChIKey of 4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride?
The InChIKey is DFGWBRLVQGYCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2.ClH/c1-11(2)10-18-13-6-8-16(9-7-13)14(17)5-4-12(3)15;/h11-13H,4-10,15H2,1-3H3;1H.
What are the key properties of 4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride?
4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride has a molecular weight of 292.85 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 120561009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).