1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine

C12H26N2O2 — CID 103181634

IUPAC1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine
SMILESCOCCCOCCN1CCC(N)CC1C
InChIInChI=1S/C12H26N2O2/c1-11-10-12(13)4-5-14(11)6-9-16-8-3-7-15-2/h11-12H,3-10,13H2,1-2H3
InChIKeyLEWHAKHCQJENQP-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.85
Rot. Bonds7

About 1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine

1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine (PubChem CID 103181634) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine
PubChem CID103181634
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine
SMILESCOCCCOCCN1CCC(N)CC1C
InChIInChI=1S/C12H26N2O2/c1-11-10-12(13)4-5-14(11)6-9-16-8-3-7-15-2/h11-12H,3-10,13H2,1-2H3
InChIKeyLEWHAKHCQJENQP-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(Morpholin-4-yl)azepane
CID 56924585
N,N-bis(2-methoxyethyl)piperidin-4-amine
CID 61418821
1-[2-(Propan-2-yloxy)ethyl]piperidin-4-amine
CID 61485350
N-(2-Methoxyethyl)-1-methylpiperidin-4-amine
CID 2761027
(5-Morpholin-4-ylpentyl)amine
CID 7138467
4-(Morpholin-4-yl)butan-2-amine
CID 16767299
3-(Morpholin-4-yl)butan-1-amine
CID 20069556
1-(2-Methoxyethyl)piperidin-4-amine
CID 20119121
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]piperidin-4-amine
CID 44592824
1-ethyl-N-(2-methoxyethyl)piperidin-4-amine
CID 2247136
N-(3-Morpholinopropyl)cycloheptanamine
CID 5143403
1-methyl-N-[3-(morpholin-4-yl)propyl]piperidin-4-amine
CID 4712096

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine (CID 103181634) is 1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine is COCCCOCCN1CCC(N)CC1C.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine?
The InChIKey is LEWHAKHCQJENQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11-10-12(13)4-5-14(11)6-9-16-8-3-7-15-2/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine?
1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine has a molecular weight of 230.35 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine is sourced from PubChem (CID 103181634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).