butane;1-butylpiperidin-4-one

C13H27NO — CID 177152756

IUPACbutane;1-butylpiperidin-4-one
SMILESCCCC.CCCCN1CCC(=O)CC1
InChIInChI=1S/C9H17NO.C4H10/c1-2-3-6-10-7-4-9(11)5-8-10;1-3-4-2/h2-8H2,1H3;3-4H2,1-2H3
InChIKeyKQAKFQDNCUIIKR-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.26
Rot. Bonds4

About butane;1-butylpiperidin-4-one

butane;1-butylpiperidin-4-one (PubChem CID 177152756) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is butane;1-butylpiperidin-4-one.

Molecular Properties

Compound Namebutane;1-butylpiperidin-4-one
PubChem CID177152756
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Namebutane;1-butylpiperidin-4-one
SMILESCCCC.CCCCN1CCC(=O)CC1
InChIInChI=1S/C9H17NO.C4H10/c1-2-3-6-10-7-4-9(11)5-8-10;1-3-4-2/h2-8H2,1H3;3-4H2,1-2H3
InChIKeyKQAKFQDNCUIIKR-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-pentadecylpiperidin-4-one
CID 10267366
1-butylpyrrolidin-3-one
CID 23052762
1-(4-butoxybutyl)piperidin-4-one
CID 70278532
1-(5-butoxypentyl)piperidin-4-one
CID 18001872
1-(6-butoxyhexyl)piperidin-4-one
CID 70277022
1-[3-(dipropylamino)propyl]piperidin-4-one
CID 18001996
bis(N-benzyl-1-phenylmethanamine);bis(1-butylpiperidin-4-one)
CID 70278202
1-(5-propoxypentyl)piperidin-4-one
CID 70277123
1-octylpiperidin-3-one;1-octylpiperidin-4-one
CID 68829117
1-(3-fluoropropyl)piperidin-4-one
CID 81105604
1-(2-ethoxyethyl)piperidin-4-one
CID 15410842
2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid
CID 142749227

Frequently Asked Questions

What is the IUPAC name of butane;1-butylpiperidin-4-one?
The IUPAC name of butane;1-butylpiperidin-4-one (CID 177152756) is butane;1-butylpiperidin-4-one.
What is the SMILES notation for butane;1-butylpiperidin-4-one?
The canonical SMILES for butane;1-butylpiperidin-4-one is CCCC.CCCCN1CCC(=O)CC1.
What is the InChIKey of butane;1-butylpiperidin-4-one?
The InChIKey is KQAKFQDNCUIIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C4H10/c1-2-3-6-10-7-4-9(11)5-8-10;1-3-4-2/h2-8H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;1-butylpiperidin-4-one?
butane;1-butylpiperidin-4-one has a molecular weight of 213.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-butylpiperidin-4-one is sourced from PubChem (CID 177152756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).