1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-4-ol

C10H19N3O — CID 134406174

IUPAC1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-4-ol
SMILESC/C(N)=C/C=C(\N)N1CCC(O)CC1
InChIInChI=1S/C10H19N3O/c1-8(11)2-3-10(12)13-6-4-9(14)5-7-13/h2-3,9,14H,4-7,11-12H2,1H3/b8-2-,10-3+
InChIKeyDNJPYEKMAKKLDQ-AVBCCAMWSA-N
MW197.28 g/mol
LogP0.11
Rot. Bonds2

About 1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-4-ol

1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-4-ol (PubChem CID 134406174) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-4-ol
PubChem CID134406174
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-4-ol
SMILESC/C(N)=C/C=C(\N)N1CCC(O)CC1
InChIInChI=1S/C10H19N3O/c1-8(11)2-3-10(12)13-6-4-9(14)5-7-13/h2-3,9,14H,4-7,11-12H2,1H3/b8-2-,10-3+
InChIKeyDNJPYEKMAKKLDQ-AVBCCAMWSA-N
XLogP0.11
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-4-ol?
The IUPAC name of 1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-4-ol (CID 134406174) is 1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-4-ol.
What is the SMILES notation for 1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-4-ol?
The canonical SMILES for 1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-4-ol is C/C(N)=C/C=C(\N)N1CCC(O)CC1.
What is the InChIKey of 1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-4-ol?
The InChIKey is DNJPYEKMAKKLDQ-AVBCCAMWSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(11)2-3-10(12)13-6-4-9(14)5-7-13/h2-3,9,14H,4-7,11-12H2,1H3/b8-2-,10-3+.
What are the key properties of 1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-4-ol?
1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-4-ol has a molecular weight of 197.28 g/mol, XLogP of 0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-4-ol is sourced from PubChem (CID 134406174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).