N,N-dimethyl-3-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]prop-1-en-2-amine

C17H34N4 — CID 142390657

IUPACN,N-dimethyl-3-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]prop-1-en-2-amine
SMILESC=C(CN1CCC(CCN2CCN(C)CC2)CC1)N(C)C
InChIInChI=1S/C17H34N4/c1-16(18(2)3)15-21-9-6-17(7-10-21)5-8-20-13-11-19(4)12-14-20/h17H,1,5-15H2,2-4H3
InChIKeyURKJGKPCHAVGFH-UHFFFAOYSA-N
MW294.49 g/mol
LogP1.41
Rot. Bonds6

About N,N-dimethyl-3-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]prop-1-en-2-amine

N,N-dimethyl-3-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]prop-1-en-2-amine (PubChem CID 142390657) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]prop-1-en-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]prop-1-en-2-amine
PubChem CID142390657
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC NameN,N-dimethyl-3-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]prop-1-en-2-amine
SMILESC=C(CN1CCC(CCN2CCN(C)CC2)CC1)N(C)C
InChIInChI=1S/C17H34N4/c1-16(18(2)3)15-21-9-6-17(7-10-21)5-8-20-13-11-19(4)12-14-20/h17H,1,5-15H2,2-4H3
InChIKeyURKJGKPCHAVGFH-UHFFFAOYSA-N
XLogP1.41
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-en-2-yl]piperazine
CID 121277356
N-methyl-3-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine
CID 135167698
N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine
CID 135167819
Ethane;1-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]-4-prop-1-en-2-ylpiperidine
CID 142372787
N,N-dimethylethenamine;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine
CID 142386019
ethane;methane;(Z)-N-methyl-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-N-propylbut-2-en-2-amine
CID 143378461
N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]prop-1-en-2-amine
CID 145484941
2,2-Dimethyl-1-(2-methylprop-2-enyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
CID 155034811
1-[2-(1-Butylpiperidin-4-yl)ethyl]-4-prop-1-en-2-ylpiperazine
CID 155034848
1-Tert-butyl-4-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethenyl]piperazine
CID 155219658
1-[3-(1-Propan-2-ylpiperidin-4-yl)propyl]-4-prop-1-en-2-ylpiperazine
CID 155702590
Ethane;3-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]prop-1-en-2-amine
CID 156719941

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]prop-1-en-2-amine?
The IUPAC name of N,N-dimethyl-3-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]prop-1-en-2-amine (CID 142390657) is N,N-dimethyl-3-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]prop-1-en-2-amine.
What is the SMILES notation for N,N-dimethyl-3-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]prop-1-en-2-amine?
The canonical SMILES for N,N-dimethyl-3-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]prop-1-en-2-amine is C=C(CN1CCC(CCN2CCN(C)CC2)CC1)N(C)C.
What is the InChIKey of N,N-dimethyl-3-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]prop-1-en-2-amine?
The InChIKey is URKJGKPCHAVGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-16(18(2)3)15-21-9-6-17(7-10-21)5-8-20-13-11-19(4)12-14-20/h17H,1,5-15H2,2-4H3.
What are the key properties of N,N-dimethyl-3-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]prop-1-en-2-amine?
N,N-dimethyl-3-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]prop-1-en-2-amine has a molecular weight of 294.49 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]prop-1-en-2-amine is sourced from PubChem (CID 142390657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).