2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine

C20H47N7O — CID 162033952

IUPAC2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine
SMILESCN1CCN(CCN)CC1.NCCN1CCCCC1.NCCN1CCOCC1
InChIInChI=1S/C7H17N3.C7H16N2.C6H14N2O/c1-9-4-6-10(3-2-8)7-5-9;8-4-7-9-5-2-1-3-6-9;7-1-2-8-3-5-9-6-4-8/h2-8H2,1H3;1-8H2;1-7H2
InChIKeyYWKAASPFWMXAOE-UHFFFAOYSA-N
MW401.64 g/mol
LogP-1.10
Rot. Bonds6

About 2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine

2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine (PubChem CID 162033952) has the molecular formula C20H47N7O and a molecular weight of 401.64 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine
PubChem CID162033952
Molecular FormulaC20H47N7O
Molecular Weight401.64 g/mol
Exact Mass401.38
IUPAC Name2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine
SMILESCN1CCN(CCN)CC1.NCCN1CCCCC1.NCCN1CCOCC1
InChIInChI=1S/C7H17N3.C7H16N2.C6H14N2O/c1-9-4-6-10(3-2-8)7-5-9;8-4-7-9-5-2-1-3-6-9;7-1-2-8-3-5-9-6-4-8/h2-8H2,1H3;1-8H2;1-7H2
InChIKeyYWKAASPFWMXAOE-UHFFFAOYSA-N
XLogP-1.10
TPSA100.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.64
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine with MolForge

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Related Compounds

2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
methane;2-piperidin-1-ylethanamine
CID 158303452
1,4-dimethylpiperazine;methanamine;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine
CID 158044460
acetamide;2-morpholin-4-ylethanamine
CID 158022700
1-ethylpiperidine;4-methylmorpholine
CID 70445137
3-(1,4-oxazepan-4-yl)propan-1-amine
CID 59833420
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
ethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine
CID 142194562
4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine
CID 174525711
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine
CID 54346407

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine (CID 162033952) is 2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine is CN1CCN(CCN)CC1.NCCN1CCCCC1.NCCN1CCOCC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine?
The InChIKey is YWKAASPFWMXAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3.C7H16N2.C6H14N2O/c1-9-4-6-10(3-2-8)7-5-9;8-4-7-9-5-2-1-3-6-9;7-1-2-8-3-5-9-6-4-8/h2-8H2,1H3;1-8H2;1-7H2.
What are the key properties of 2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine?
2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine has a molecular weight of 401.64 g/mol, XLogP of -1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine is sourced from PubChem (CID 162033952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).