1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one

C17H26N2O2 — CID 119374179

IUPAC1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one
SMILESCc1cccc(OCCCCC(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-14-5-4-6-16(13-14)21-12-3-2-7-17(20)19-10-8-15(18)9-11-19/h4-6,13,15H,2-3,7-12,18H2,1H3
InChIKeyDMYQUZAYWITBTP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.49
Rot. Bonds6

About 1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one

1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one (PubChem CID 119374179) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one
PubChem CID119374179
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one
SMILESCc1cccc(OCCCCC(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-14-5-4-6-16(13-14)21-12-3-2-7-17(20)19-10-8-15(18)9-11-19/h4-6,13,15H,2-3,7-12,18H2,1H3
InChIKeyDMYQUZAYWITBTP-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
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-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 119561175
2-[1-[5-(3-methylphenoxy)pentanoyl]piperidin-4-yl]acetic acid
CID 119178022
1-(4-amino-3,3-dimethylpiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one
CID 120819975
2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide
CID 56813577
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 124691222
1-[4-(bromomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80678009
1-[3-(1-aminoethyl)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 119594107
(3R)-1-[5-(3-methylphenoxy)pentanoyl]piperidine-3-carboxylic acid
CID 124576583
1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one
CID 79867710
1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one
CID 24708517
1-[5-(3-methylphenoxy)pentanoyl]pyrrolidine-2-carboxylic acid
CID 119355758
1-[2-(1-aminoethyl)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 119435582

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one (CID 119374179) is 1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one is Cc1cccc(OCCCCC(=O)N2CCC(N)CC2)c1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one?
The InChIKey is DMYQUZAYWITBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-5-4-6-16(13-14)21-12-3-2-7-17(20)19-10-8-15(18)9-11-19/h4-6,13,15H,2-3,7-12,18H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one?
1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.49, 6 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)-5-(3-methylphenoxy)pentan-1-one is sourced from PubChem (CID 119374179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).