1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one

C15H30N2O2 — CID 82701727

IUPAC1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
SMILESCC(CC(=O)N1CCC(OCCN)CC1)C(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-12(15(2,3)4)11-14(18)17-8-5-13(6-9-17)19-10-7-16/h12-13H,5-11,16H2,1-4H3
InChIKeyMHVPPAFWDSGCGV-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.03
Rot. Bonds5

About 1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one

1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one (PubChem CID 82701727) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one.

Molecular Properties

Compound Name1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
PubChem CID82701727
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
SMILESCC(CC(=O)N1CCC(OCCN)CC1)C(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-12(15(2,3)4)11-14(18)17-8-5-13(6-9-17)19-10-7-16/h12-13H,5-11,16H2,1-4H3
InChIKeyMHVPPAFWDSGCGV-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 82690835
1-[4-(2-chloroethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 82701754
1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one
CID 82702018
1-[4-(3-aminopropoxy)piperidin-1-yl]-3,5-dimethylhexan-1-one;hydrochloride
CID 119663849
1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 103022562
1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one
CID 82701031
tert-butyl (3S)-3-(2-aminoethoxy)pyrrolidine-1-carboxylate
CID 96551969
1-[4-(2-aminoethoxy)piperidin-1-yl]decan-1-one
CID 82688423
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one
CID 119664240
1-[(3S)-3-aminopyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride
CID 119934172
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 81483865
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride
CID 119621897

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one?
The IUPAC name of 1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one (CID 82701727) is 1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one.
What is the SMILES notation for 1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one?
The canonical SMILES for 1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one is CC(CC(=O)N1CCC(OCCN)CC1)C(C)(C)C.
What is the InChIKey of 1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one?
The InChIKey is MHVPPAFWDSGCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(15(2,3)4)11-14(18)17-8-5-13(6-9-17)19-10-7-16/h12-13H,5-11,16H2,1-4H3.
What are the key properties of 1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one?
1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one has a molecular weight of 270.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one is sourced from PubChem (CID 82701727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).