(1E,3Z)-1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]penta-1,3-diene-1,4-diamine

C17H32N4 — CID 176985938

IUPAC(1E,3Z)-1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCC(CN2CCC(C)CC2)CC1
InChIInChI=1S/C17H32N4/c1-14-5-9-20(10-6-14)13-16-7-11-21(12-8-16)17(19)4-3-15(2)18/h3-4,14,16H,5-13,18-19H2,1-2H3/b15-3-,17-4+
InChIKeyODTSHQJWICIRSZ-WDCUMXCNSA-N
MW292.47 g/mol
LogP2.09
Rot. Bonds4

About (1E,3Z)-1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]penta-1,3-diene-1,4-diamine

(1E,3Z)-1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]penta-1,3-diene-1,4-diamine (PubChem CID 176985938) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is (1E,3Z)-1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]penta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]penta-1,3-diene-1,4-diamine
PubChem CID176985938
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name(1E,3Z)-1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCC(CN2CCC(C)CC2)CC1
InChIInChI=1S/C17H32N4/c1-14-5-9-20(10-6-14)13-16-7-11-21(12-8-16)17(19)4-3-15(2)18/h3-4,14,16H,5-13,18-19H2,1-2H3/b15-3-,17-4+
InChIKeyODTSHQJWICIRSZ-WDCUMXCNSA-N
XLogP2.09
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-5-[4-(piperidin-1-ylmethyl)piperidin-1-yl]hexa-1,3,5-trien-2-amine
CID 89574213
(1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine
CID 134406435
(1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406497
(1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane
CID 145197936
(2Z,4E)-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine
CID 166981128
(1E,3Z,5E)-1-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]hepta-1,3,5-triene-1,4-diamine
CID 173997846

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]penta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]penta-1,3-diene-1,4-diamine (CID 176985938) is (1E,3Z)-1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]penta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]penta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]penta-1,3-diene-1,4-diamine is C/C(N)=C/C=C(\N)N1CCC(CN2CCC(C)CC2)CC1.
What is the InChIKey of (1E,3Z)-1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]penta-1,3-diene-1,4-diamine?
The InChIKey is ODTSHQJWICIRSZ-WDCUMXCNSA-N. The full InChI is InChI=1S/C17H32N4/c1-14-5-9-20(10-6-14)13-16-7-11-21(12-8-16)17(19)4-3-15(2)18/h3-4,14,16H,5-13,18-19H2,1-2H3/b15-3-,17-4+.
What are the key properties of (1E,3Z)-1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]penta-1,3-diene-1,4-diamine?
(1E,3Z)-1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]penta-1,3-diene-1,4-diamine has a molecular weight of 292.47 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 176985938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).