N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

C16H32N4 — CID 82892706

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCN1CCN(CCN(CC2CCNCC2)C2CC2)CC1
InChIInChI=1S/C16H32N4/c1-18-8-10-19(11-9-18)12-13-20(16-2-3-16)14-15-4-6-17-7-5-15/h15-17H,2-14H2,1H3
InChIKeyUALWMUMLUFKAAC-UHFFFAOYSA-N
MW280.46 g/mol
LogP0.70
Rot. Bonds6

About N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (PubChem CID 82892706) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
PubChem CID82892706
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCN1CCN(CCN(CC2CCNCC2)C2CC2)CC1
InChIInChI=1S/C16H32N4/c1-18-8-10-19(11-9-18)12-13-20(16-2-3-16)14-15-4-6-17-7-5-15/h15-17H,2-14H2,1H3
InChIKeyUALWMUMLUFKAAC-UHFFFAOYSA-N
XLogP0.70
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 79714194
N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine
CID 79715823
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]piperidin-4-amine
CID 79328373
1-methyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 15057324
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylethanamine
CID 63236887
1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one
CID 82908092
N-(cyclopropylmethyl)-1-methyl-N-propylpiperidin-4-amine
CID 30983644
N,1-dimethyl-N-(piperidin-4-ylmethyl)piperidin-3-amine
CID 62546416
5-[cyclopropyl(piperidin-4-ylmethyl)amino]pentan-1-ol
CID 79714169
N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 62860620
N-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine
CID 62832391
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 103181621

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (CID 82892706) is N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is CN1CCN(CCN(CC2CCNCC2)C2CC2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The InChIKey is UALWMUMLUFKAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-18-8-10-19(11-9-18)12-13-20(16-2-3-16)14-15-4-6-17-7-5-15/h15-17H,2-14H2,1H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine has a molecular weight of 280.46 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 82892706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).