1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C20H30N2O2 — CID 119664009

IUPAC1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESNCCCOC1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C20H30N2O2/c21-10-3-13-24-19-8-11-22(12-9-19)20(23)15-16-6-7-17-4-1-2-5-18(17)14-16/h6-7,14,19H,1-5,8-13,15,21H2
InChIKeyNBNJKYDBWYUEDJ-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.46
Rot. Bonds6

About 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 119664009) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID119664009
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESNCCCOC1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C20H30N2O2/c21-10-3-13-24-19-8-11-22(12-9-19)20(23)15-16-6-7-17-4-1-2-5-18(17)14-16/h6-7,14,19H,1-5,8-13,15,21H2
InChIKeyNBNJKYDBWYUEDJ-UHFFFAOYSA-N
XLogP2.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.46
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-methylphenyl)ethanone
CID 79737478
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-(6-methyl-3-pyridinyl)ethanone
CID 119663814
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119661511
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride
CID 119661510
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,5-difluorophenyl)ethanone;hydrochloride
CID 119662837
1-[2-[4-(3-aminopropoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 119663026
2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178784
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride
CID 119661818
1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82132544

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 119664009) is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is NCCCOC1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is NBNJKYDBWYUEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c21-10-3-13-24-19-8-11-22(12-9-19)20(23)15-16-6-7-17-4-1-2-5-18(17)14-16/h6-7,14,19H,1-5,8-13,15,21H2.
What are the key properties of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 330.47 g/mol, XLogP of 2.46, 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-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 119664009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).