(Z)-1-N-[1-(oxetan-3-yl)piperidin-4-yl]prop-1-ene-1,2-diamine

C11H21N3O — CID 155330051

IUPAC(Z)-1-N-[1-(oxetan-3-yl)piperidin-4-yl]prop-1-ene-1,2-diamine
SMILESC/C(N)=C/NC1CCN(C2COC2)CC1
InChIInChI=1S/C11H21N3O/c1-9(12)6-13-10-2-4-14(5-3-10)11-7-15-8-11/h6,10-11,13H,2-5,7-8,12H2,1H3/b9-6-
InChIKeyWEXFSXNMHGRHOM-TWGQIWQCSA-N
MW211.31 g/mol
LogP0.26
Rot. Bonds3

About (Z)-1-N-[1-(oxetan-3-yl)piperidin-4-yl]prop-1-ene-1,2-diamine

(Z)-1-N-[1-(oxetan-3-yl)piperidin-4-yl]prop-1-ene-1,2-diamine (PubChem CID 155330051) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (Z)-1-N-[1-(oxetan-3-yl)piperidin-4-yl]prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-[1-(oxetan-3-yl)piperidin-4-yl]prop-1-ene-1,2-diamine
PubChem CID155330051
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(Z)-1-N-[1-(oxetan-3-yl)piperidin-4-yl]prop-1-ene-1,2-diamine
SMILESC/C(N)=C/NC1CCN(C2COC2)CC1
InChIInChI=1S/C11H21N3O/c1-9(12)6-13-10-2-4-14(5-3-10)11-7-15-8-11/h6,10-11,13H,2-5,7-8,12H2,1H3/b9-6-
InChIKeyWEXFSXNMHGRHOM-TWGQIWQCSA-N
XLogP0.26
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(oxetan-3-yl)-1-prop-1-en-2-ylpiperidin-4-amine
CID 178156893
N-methyl-N-(oxetan-3-yl)piperidin-4-amine
CID 59605760
1-methyl-N-(oxetan-3-yl)piperidin-4-amine
CID 63624023
1-(oxetan-3-yl)-N-propan-2-ylpiperidin-4-amine
CID 67476027
N-methyl-1-(oxetan-3-yl)piperidin-4-amine
CID 73977885
N-(oxetan-3-yl)-1-propan-2-ylpiperidin-4-amine
CID 80117780
1-ethyl-N-(oxetan-3-yl)piperidin-4-amine
CID 80120087
N-ethyl-N-(oxetan-3-yl)piperidin-4-amine
CID 118175336
4-(5-Methyl-1,2-dihydroimidazol-3-yl)-1-(oxetan-3-yl)piperidine
CID 118423117
N-ethyl-1-(3-oxetanyl)-4-Piperidinamine
CID 132238868
1-butan-2-yl-N-(oxetan-3-yl)piperidin-4-amine
CID 134178349
ethane;3-N-(2-methoxyethyl)-3-N-methyl-1-N-prop-1-en-2-ylbutane-1,3-diamine
CID 143504815

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-[1-(oxetan-3-yl)piperidin-4-yl]prop-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-[1-(oxetan-3-yl)piperidin-4-yl]prop-1-ene-1,2-diamine (CID 155330051) is (Z)-1-N-[1-(oxetan-3-yl)piperidin-4-yl]prop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-[1-(oxetan-3-yl)piperidin-4-yl]prop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-[1-(oxetan-3-yl)piperidin-4-yl]prop-1-ene-1,2-diamine is C/C(N)=C/NC1CCN(C2COC2)CC1.
What is the InChIKey of (Z)-1-N-[1-(oxetan-3-yl)piperidin-4-yl]prop-1-ene-1,2-diamine?
The InChIKey is WEXFSXNMHGRHOM-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(12)6-13-10-2-4-14(5-3-10)11-7-15-8-11/h6,10-11,13H,2-5,7-8,12H2,1H3/b9-6-.
What are the key properties of (Z)-1-N-[1-(oxetan-3-yl)piperidin-4-yl]prop-1-ene-1,2-diamine?
(Z)-1-N-[1-(oxetan-3-yl)piperidin-4-yl]prop-1-ene-1,2-diamine has a molecular weight of 211.31 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-[1-(oxetan-3-yl)piperidin-4-yl]prop-1-ene-1,2-diamine is sourced from PubChem (CID 155330051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).