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

C17H26N2O3 — CID 119663615

IUPAC1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCC(OCCCN)CC2)c1
InChIInChI=1S/C17H26N2O3/c1-14-4-2-5-16(12-14)22-13-17(20)19-9-6-15(7-10-19)21-11-3-8-18/h2,4-5,12,15H,3,6-11,13,18H2,1H3
InChIKeyNOKYZMVYMAYGOM-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.73
Rot. Bonds7

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

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone (PubChem CID 119663615) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
PubChem CID119663615
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCC(OCCCN)CC2)c1
InChIInChI=1S/C17H26N2O3/c1-14-4-2-5-16(12-14)22-13-17(20)19-9-6-15(7-10-19)21-11-3-8-18/h2,4-5,12,15H,3,6-11,13,18H2,1H3
InChIKeyNOKYZMVYMAYGOM-UHFFFAOYSA-N
XLogP1.73
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.73
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-(3-propan-2-ylphenoxy)ethanone
CID 119664519
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 79737478
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 119661488
[4-(3-aminopropoxy)piperidin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 119664072
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-chloro-2-methylphenoxy)ethanone
CID 119664301
1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156848
1-[4-(3-aminopropoxy)piperidin-1-yl]-4-(3-fluorophenoxy)butan-1-one;hydrochloride
CID 119663996
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(3,4-dimethylphenoxy)propan-1-one
CID 119664515
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 49348967
3-[3-[4-(3-aminopropoxy)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
CID 119664640
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-methylphenoxy)ethanone?
The IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone (CID 119663615) is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone is Cc1cccc(OCC(=O)N2CCC(OCCCN)CC2)c1.
What is the InChIKey of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone?
The InChIKey is NOKYZMVYMAYGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-14-4-2-5-16(12-14)22-13-17(20)19-9-6-15(7-10-19)21-11-3-8-18/h2,4-5,12,15H,3,6-11,13,18H2,1H3.
What are the key properties of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone?
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone has a molecular weight of 306.41 g/mol, XLogP of 1.73, 7 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-(3-methylphenoxy)ethanone is sourced from PubChem (CID 119663615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).