2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one

C15H28N2O2 — CID 79032608

IUPAC2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)14(18)17-8-6-12(7-9-17)16-11-13-5-4-10-19-13/h12-13,16H,4-11H2,1-3H3
InChIKeySNHAWOFALQSJPC-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds3

About 2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one (PubChem CID 79032608) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one
PubChem CID79032608
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)14(18)17-8-6-12(7-9-17)16-11-13-5-4-10-19-13/h12-13,16H,4-11H2,1-3H3
InChIKeySNHAWOFALQSJPC-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119625065
2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one
CID 43747736
1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111469282
2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one
CID 106637739
3-(azepan-1-yl)-2,2-dimethyl-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108960062
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 119261129
N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine
CID 742865
1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
CID 117027418
1-ethyl-N-(oxan-2-ylmethyl)piperidin-4-amine
CID 60694440
3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid
CID 117027700
4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one
CID 115335773

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one (CID 79032608) is 2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCC(NCC2CCCO2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is SNHAWOFALQSJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)14(18)17-8-6-12(7-9-17)16-11-13-5-4-10-19-13/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 79032608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).