6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one

C15H30N2O — CID 170126914

IUPAC6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one
SMILESCCCCC1CCN(C(=O)CCCCCN)CC1
InChIInChI=1S/C15H30N2O/c1-2-3-7-14-9-12-17(13-10-14)15(18)8-5-4-6-11-16/h14H,2-13,16H2,1H3
InChIKeyARNYUZLLOLMEDF-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.93
Rot. Bonds8

About 6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one

6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one (PubChem CID 170126914) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one
PubChem CID170126914
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one
SMILESCCCCC1CCN(C(=O)CCCCCN)CC1
InChIInChI=1S/C15H30N2O/c1-2-3-7-14-9-12-17(13-10-14)15(18)8-5-4-6-11-16/h14H,2-13,16H2,1H3
InChIKeyARNYUZLLOLMEDF-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43133252
7-amino-1-(4-ethylazepan-1-yl)heptan-1-one;hydrochloride
CID 119794873
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride
CID 119806012
1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one
CID 80677529
1-[4-(2-aminoethoxy)piperidin-1-yl]decan-1-one
CID 82688423
1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119738371
3-(1-octadec-9-enoylpiperidin-4-yl)propyl acetate
CID 154093740
1-[4-(2-methoxyethyl)piperidin-1-yl]pentan-1-one
CID 90437878
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one?
The IUPAC name of 6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one (CID 170126914) is 6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one.
What is the SMILES notation for 6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one?
The canonical SMILES for 6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one is CCCCC1CCN(C(=O)CCCCCN)CC1.
What is the InChIKey of 6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one?
The InChIKey is ARNYUZLLOLMEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-2-3-7-14-9-12-17(13-10-14)15(18)8-5-4-6-11-16/h14H,2-13,16H2,1H3.
What are the key properties of 6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one?
6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one is sourced from PubChem (CID 170126914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).