1-piperidin-4-ylundecan-2-one

C16H31NO — CID 116559812

IUPAC1-piperidin-4-ylundecan-2-one
SMILESCCCCCCCCCC(=O)CC1CCNCC1
InChIInChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-16(18)14-15-10-12-17-13-11-15/h15,17H,2-14H2,1H3
InChIKeyBNSFFYSYPPVHRZ-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.09
Rot. Bonds10

About 1-piperidin-4-ylundecan-2-one

1-piperidin-4-ylundecan-2-one (PubChem CID 116559812) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-piperidin-4-ylundecan-2-one.

Molecular Properties

Compound Name1-piperidin-4-ylundecan-2-one
PubChem CID116559812
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-piperidin-4-ylundecan-2-one
SMILESCCCCCCCCCC(=O)CC1CCNCC1
InChIInChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-16(18)14-15-10-12-17-13-11-15/h15,17H,2-14H2,1H3
InChIKeyBNSFFYSYPPVHRZ-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.09
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

1-piperidin-4-ylhexan-2-one
CID 116559845
1-cyclopentylundecan-2-one
CID 114966416
1-cyclopentylheptadecan-2-one
CID 142770613
1-cyclohexylnonan-2-one
CID 22768059
6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one
CID 116559967
1-(8-azabicyclo[3.2.1]octan-3-yl)decan-2-one
CID 116588219
1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one
CID 116588294
1-(8-azabicyclo[3.2.1]octan-3-yl)octan-2-one
CID 116588352
N-(piperidin-4-ylmethyl)heptanamide
CID 115736684
5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one
CID 116583438
N-octan-2-yl-2-piperidin-4-ylacetamide
CID 54910396
4-hexadecylpiperidine
CID 54096875

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylundecan-2-one?
The IUPAC name of 1-piperidin-4-ylundecan-2-one (CID 116559812) is 1-piperidin-4-ylundecan-2-one.
What is the SMILES notation for 1-piperidin-4-ylundecan-2-one?
The canonical SMILES for 1-piperidin-4-ylundecan-2-one is CCCCCCCCCC(=O)CC1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylundecan-2-one?
The InChIKey is BNSFFYSYPPVHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-16(18)14-15-10-12-17-13-11-15/h15,17H,2-14H2,1H3.
What are the key properties of 1-piperidin-4-ylundecan-2-one?
1-piperidin-4-ylundecan-2-one has a molecular weight of 253.43 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylundecan-2-one is sourced from PubChem (CID 116559812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).