N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine

C16H32N2O — CID 83199655

IUPACN,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine
SMILESCN(CC1CCCCO1)CC(C)(C)C1CCCNC1
InChIInChI=1S/C16H32N2O/c1-16(2,14-7-6-9-17-11-14)13-18(3)12-15-8-4-5-10-19-15/h14-15,17H,4-13H2,1-3H3
InChIKeyGREDCOCUMOEPFD-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds5

About N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine

N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine (PubChem CID 83199655) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine
PubChem CID83199655
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine
SMILESCN(CC1CCCCO1)CC(C)(C)C1CCCNC1
InChIInChI=1S/C16H32N2O/c1-16(2,14-7-6-9-17-11-14)13-18(3)12-15-8-4-5-10-19-15/h14-15,17H,4-13H2,1-3H3
InChIKeyGREDCOCUMOEPFD-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropanamide
CID 83031069
1-N,2,2,3-tetramethyl-1-N-(oxan-2-ylmethyl)butane-1,3-diamine
CID 65267291
ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 156714058
N,N-dimethyl-1-[[methyl-(2-methyl-2-piperidin-3-ylpropyl)amino]methyl]cyclobutan-1-amine
CID 105421322
N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-3-ylpropanamide
CID 83031722
N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 104870155
2-cyclopropyl-1-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 61435769
N-(furan-2-ylmethyl)-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
CID 83200291
N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
CID 83198293
N-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 113267802
N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 62256954
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine?
The IUPAC name of N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine (CID 83199655) is N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine?
The canonical SMILES for N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine is CN(CC1CCCCO1)CC(C)(C)C1CCCNC1.
What is the InChIKey of N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine?
The InChIKey is GREDCOCUMOEPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-16(2,14-7-6-9-17-11-14)13-18(3)12-15-8-4-5-10-19-15/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine?
N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine is sourced from PubChem (CID 83199655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).