N,N-dimethyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-amine

C12H22N2 — CID 167150955

IUPACN,N-dimethyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-amine
SMILESC=C(/C=C\C)N1CCC(N(C)C)CC1
InChIInChI=1S/C12H22N2/c1-5-6-11(2)14-9-7-12(8-10-14)13(3)4/h5-6,12H,2,7-10H2,1,3-4H3/b6-5-
InChIKeyINRMKDQGNBGKEJ-WAYWQWQTSA-N
MW194.32 g/mol
LogP2.10
Rot. Bonds3

About N,N-dimethyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-amine

N,N-dimethyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-amine (PubChem CID 167150955) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-amine
PubChem CID167150955
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN,N-dimethyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-amine
SMILESC=C(/C=C\C)N1CCC(N(C)C)CC1
InChIInChI=1S/C12H22N2/c1-5-6-11(2)14-9-7-12(8-10-14)13(3)4/h5-6,12H,2,7-10H2,1,3-4H3/b6-5-
InChIKeyINRMKDQGNBGKEJ-WAYWQWQTSA-N
XLogP2.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine
CID 144656760
1-(1-Ethylpiperidin-4-yl)-3-fluoroazepine
CID 174423793
1-(4-Methylpenta-1,3-dien-2-yl)piperidine
CID 12661921
1-(1-methylpiperidin-4-yl)-2H-pyridine
CID 18335516
1-[(3E)-penta-1,3-dien-3-yl]piperidine
CID 22149549
N,N-dimethyl-1-octan-3-yl-2H-pyridin-4-amine
CID 22660248
6-methyl-1-pentyl-2H-pyridine
CID 54491275
1-Penta-2,4-dien-2-ylpiperidine
CID 57091192
1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine
CID 58336937
1-[(1Z,3Z)-4-isocyanopenta-1,3-dienyl]piperidine
CID 59886144
(1E,3Z)-2-[4-(dimethylamino)piperidin-1-yl]hexa-1,3,5-triene-1,5-diamine
CID 87688619
1-[(3Z)-penta-1,3-dien-2-yl]piperidine
CID 88379736

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-amine (CID 167150955) is N,N-dimethyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-amine is C=C(/C=C\C)N1CCC(N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-amine?
The InChIKey is INRMKDQGNBGKEJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-6-11(2)14-9-7-12(8-10-14)13(3)4/h5-6,12H,2,7-10H2,1,3-4H3/b6-5-.
What are the key properties of N,N-dimethyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-amine?
N,N-dimethyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-amine has a molecular weight of 194.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-amine is sourced from PubChem (CID 167150955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).