1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone

C17H26N2O2 — CID 79737478

IUPAC1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCC(OCCCN)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-14-4-2-5-15(12-14)13-17(20)19-9-6-16(7-10-19)21-11-3-8-18/h2,4-5,12,16H,3,6-11,13,18H2,1H3
InChIKeyDSVZQUKEGFPPAR-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.89
Rot. Bonds6

About 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone (PubChem CID 79737478) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone
PubChem CID79737478
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCC(OCCCN)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-14-4-2-5-15(12-14)13-17(20)19-9-6-16(7-10-19)21-11-3-8-18/h2,4-5,12,16H,3,6-11,13,18H2,1H3
InChIKeyDSVZQUKEGFPPAR-UHFFFAOYSA-N
XLogP1.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.89
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-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 79736194
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-chlorophenyl)ethanone
CID 79736993
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-chlorophenyl)ethanone;hydrochloride
CID 86813278
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 119663615
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride
CID 119661818
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 119664009
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 119663814
[4-(3-aminopropoxy)piperidin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 119664072
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea;hydrochloride
CID 119664508
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 119663793

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone (CID 79737478) is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CCC(OCCCN)CC2)c1.
What is the InChIKey of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is DSVZQUKEGFPPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-4-2-5-15(12-14)13-17(20)19-9-6-16(7-10-19)21-11-3-8-18/h2,4-5,12,16H,3,6-11,13,18H2,1H3.
What are the key properties of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 79737478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).