1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanium

C13H26N3O2+ — CID 163713083

IUPAC1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanium
SMILESCCC(=[NH2+])NC(=O)N1CCC([C@H](C)CCO)CC1
InChIInChI=1S/C13H25N3O2/c1-3-12(14)15-13(18)16-7-4-11(5-8-16)10(2)6-9-17/h10-11,17H,3-9H2,1-2H3,(H2,14,15,18)/p+1/t10-/m1/s1
InChIKeyKKZMRNIYGMNARO-SNVBAGLBSA-O
MW256.37 g/mol
LogP-0.01
Rot. Bonds4

About 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanium

1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanium (PubChem CID 163713083) has the molecular formula C13H26N3O2+ and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanium.

Molecular Properties

Compound Name1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanium
PubChem CID163713083
Molecular FormulaC13H26N3O2+
Molecular Weight256.37 g/mol
Exact Mass256.20
IUPAC Name1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanium
SMILESCCC(=[NH2+])NC(=O)N1CCC([C@H](C)CCO)CC1
InChIInChI=1S/C13H25N3O2/c1-3-12(14)15-13(18)16-7-4-11(5-8-16)10(2)6-9-17/h10-11,17H,3-9H2,1-2H3,(H2,14,15,18)/p+1/t10-/m1/s1
InChIKeyKKZMRNIYGMNARO-SNVBAGLBSA-O
XLogP-0.01
TPSA78.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanide
CID 143776657
N-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide
CID 143776658

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanium?
The IUPAC name of 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanium (CID 163713083) is 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanium.
What is the SMILES notation for 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanium?
The canonical SMILES for 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanium is CCC(=[NH2+])NC(=O)N1CCC([C@H](C)CCO)CC1.
What is the InChIKey of 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanium?
The InChIKey is KKZMRNIYGMNARO-SNVBAGLBSA-O. The full InChI is InChI=1S/C13H25N3O2/c1-3-12(14)15-13(18)16-7-4-11(5-8-16)10(2)6-9-17/h10-11,17H,3-9H2,1-2H3,(H2,14,15,18)/p+1/t10-/m1/s1.
What are the key properties of 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanium?
1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanium has a molecular weight of 256.37 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanium is sourced from PubChem (CID 163713083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).