3-[4-(2-methoxyethyl)piperazin-1-yl]pentan-1-amine

C12H27N3O — CID 43253185

IUPAC3-[4-(2-methoxyethyl)piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(CCOC)CC1
InChIInChI=1S/C12H27N3O/c1-3-12(4-5-13)15-8-6-14(7-9-15)10-11-16-2/h12H,3-11,13H2,1-2H3
InChIKeyUHKXLBRPMGWCRO-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.38
Rot. Bonds7

About 3-[4-(2-methoxyethyl)piperazin-1-yl]pentan-1-amine

3-[4-(2-methoxyethyl)piperazin-1-yl]pentan-1-amine (PubChem CID 43253185) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)piperazin-1-yl]pentan-1-amine
PubChem CID43253185
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name3-[4-(2-methoxyethyl)piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(CCOC)CC1
InChIInChI=1S/C12H27N3O/c1-3-12(4-5-13)15-8-6-14(7-9-15)10-11-16-2/h12H,3-11,13H2,1-2H3
InChIKeyUHKXLBRPMGWCRO-UHFFFAOYSA-N
XLogP0.38
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Morpholineethanamine, alpha-methyl-
CID 170951
4-(Pyrrolidin-2-ylmethyl)morpholine
CID 4715221
1-(3-Methoxypropyl)-4-piperidinamine
CID 12088093
2-(Morpholin-4-yl)propan-1-amine
CID 16641454
Hexyl[2-(morpholin-4-yl)ethyl]amine
CID 21278415
N,N-bis(2-methoxyethyl)piperidin-4-amine
CID 61418821
1-[2-(Propan-2-yloxy)ethyl]piperidin-4-amine
CID 61485350
N-[2-(morpholin-4-yl)ethyl]cyclopentanamine
CID 12077343
N-(3-methoxypropyl)-1-methylpiperidin-4-amine
CID 3153472
3-Ethyl-2-(morpholin-4-yl)pentan-1-amine
CID 16228000
1-(2-(Morpholin-4-yl)ethyl)piperidin-3-amine
CID 54593784
N-(2-Methoxyethyl)-1-methylpiperidin-4-amine
CID 2761027

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-(2-methoxyethyl)piperazin-1-yl]pentan-1-amine (CID 43253185) is 3-[4-(2-methoxyethyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-(2-methoxyethyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-(2-methoxyethyl)piperazin-1-yl]pentan-1-amine is CCC(CCN)N1CCN(CCOC)CC1.
What is the InChIKey of 3-[4-(2-methoxyethyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is UHKXLBRPMGWCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-3-12(4-5-13)15-8-6-14(7-9-15)10-11-16-2/h12H,3-11,13H2,1-2H3.
What are the key properties of 3-[4-(2-methoxyethyl)piperazin-1-yl]pentan-1-amine?
3-[4-(2-methoxyethyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 43253185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).