1-butan-2-yl-5-butylpiperidin-3-amine

C13H28N2 — CID 83989232

IUPAC1-butan-2-yl-5-butylpiperidin-3-amine
SMILESCCCCC1CC(N)CN(C(C)CC)C1
InChIInChI=1S/C13H28N2/c1-4-6-7-12-8-13(14)10-15(9-12)11(3)5-2/h11-13H,4-10,14H2,1-3H3
InChIKeyQBKPATCJWPHGSB-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.62
Rot. Bonds5

About 1-butan-2-yl-5-butylpiperidin-3-amine

1-butan-2-yl-5-butylpiperidin-3-amine (PubChem CID 83989232) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-butan-2-yl-5-butylpiperidin-3-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-butylpiperidin-3-amine
PubChem CID83989232
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-butan-2-yl-5-butylpiperidin-3-amine
SMILESCCCCC1CC(N)CN(C(C)CC)C1
InChIInChI=1S/C13H28N2/c1-4-6-7-12-8-13(14)10-15(9-12)11(3)5-2/h11-13H,4-10,14H2,1-3H3
InChIKeyQBKPATCJWPHGSB-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-amino-1-butan-2-ylpiperidin-3-yl)ethanol
CID 83989238
5-butyl-1-cyclopropylpiperidin-3-amine
CID 83989261
1-butan-2-yl-N-cyclopropyl-5-propylpiperidin-3-amine
CID 83991740
5-ethyl-1-propan-2-ylpiperidin-3-amine
CID 83989059
4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane
CID 162493112
3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992434
methyl 2-(3-amino-5-butylpiperidin-1-yl)acetate
CID 83989416
2-[5-amino-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol
CID 83989358
5-butyl-1-(1-cyclopropylethyl)-N-ethylpiperidin-3-amine
CID 83990582
2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol
CID 83995891
N-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine
CID 134267174
1-butan-2-yl-N-methylazetidin-3-amine
CID 117002866

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-butylpiperidin-3-amine?
The IUPAC name of 1-butan-2-yl-5-butylpiperidin-3-amine (CID 83989232) is 1-butan-2-yl-5-butylpiperidin-3-amine.
What is the SMILES notation for 1-butan-2-yl-5-butylpiperidin-3-amine?
The canonical SMILES for 1-butan-2-yl-5-butylpiperidin-3-amine is CCCCC1CC(N)CN(C(C)CC)C1.
What is the InChIKey of 1-butan-2-yl-5-butylpiperidin-3-amine?
The InChIKey is QBKPATCJWPHGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-6-7-12-8-13(14)10-15(9-12)11(3)5-2/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 1-butan-2-yl-5-butylpiperidin-3-amine?
1-butan-2-yl-5-butylpiperidin-3-amine has a molecular weight of 212.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-butylpiperidin-3-amine is sourced from PubChem (CID 83989232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).