1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one

C14H27NO — CID 171554697

IUPAC1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(CC(C)C)CC1
InChIInChI=1S/C14H27NO/c1-4-5-6-14(16)15-9-7-13(8-10-15)11-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyVBWZWIOTIZXSAS-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.46
Rot. Bonds5

About 1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one

1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one (PubChem CID 171554697) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one
PubChem CID171554697
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(CC(C)C)CC1
InChIInChI=1S/C14H27NO/c1-4-5-6-14(16)15-9-7-13(8-10-15)11-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyVBWZWIOTIZXSAS-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one
CID 165108720
ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentan-1-one
CID 171627744
2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone
CID 59001118
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 68735226
1-[4-(2-methoxyethyl)piperidin-1-yl]pentan-1-one
CID 90437878
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1-[3-(bromomethyl)pyrrolidin-1-yl]pentan-1-one
CID 80668318
1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one
CID 80677529
1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 110725259
5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 103503955

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one (CID 171554697) is 1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCC(CC(C)C)CC1.
What is the InChIKey of 1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one?
The InChIKey is VBWZWIOTIZXSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-5-6-14(16)15-9-7-13(8-10-15)11-12(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one?
1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one has a molecular weight of 225.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 171554697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).