N-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen

C12H26N2O — CID 176945985

IUPACN-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen
SMILESCCNC1CCN(C2CCOCC2)CC1.[H][H]
InChIInChI=1S/C12H24N2O.H2/c1-2-13-11-3-7-14(8-4-11)12-5-9-15-10-6-12;/h11-13H,2-10H2,1H3;1H
InChIKeyJAUACNUPUUDTAH-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds3

About N-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen

N-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen (PubChem CID 176945985) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen
PubChem CID176945985
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen
SMILESCCNC1CCN(C2CCOCC2)CC1.[H][H]
InChIInChI=1S/C12H24N2O.H2/c1-2-13-11-3-7-14(8-4-11)12-5-9-15-10-6-12;/h11-13H,2-10H2,1H3;1H
InChIKeyJAUACNUPUUDTAH-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(oxan-4-yl)-N-propylpiperidin-4-amine
CID 43610262
1-cyclopentyl-N-ethylpiperidin-4-amine
CID 43315368
ethane;N-ethyl-3-morpholin-4-ylcyclopentan-1-amine
CID 170576224
N-ethyl-4-(4-propylpiperidin-1-yl)cyclohexan-1-amine
CID 114763207
N-ethyl-1-(1-methylpiperidin-3-yl)piperidin-4-amine
CID 61223610
N-ethyl-1-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43315476
1-[4-(ethylamino)cyclohexyl]piperidine-4-carboxamide
CID 114762750
N-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine
CID 126835878
1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine
CID 62386509
N-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
CID 107910858
N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine
CID 104761942

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen?
The IUPAC name of N-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen (CID 176945985) is N-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen.
What is the SMILES notation for N-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen?
The canonical SMILES for N-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen is CCNC1CCN(C2CCOCC2)CC1.[H][H].
What is the InChIKey of N-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen?
The InChIKey is JAUACNUPUUDTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.H2/c1-2-13-11-3-7-14(8-4-11)12-5-9-15-10-6-12;/h11-13H,2-10H2,1H3;1H.
What are the key properties of N-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen?
N-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen has a molecular weight of 214.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen is sourced from PubChem (CID 176945985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).