N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine

C12H26N2O — CID 62560572

IUPACN-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine
SMILESCCCCNCCN1CCC(OC)CC1
InChIInChI=1S/C12H26N2O/c1-3-4-7-13-8-11-14-9-5-12(15-2)6-10-14/h12-13H,3-11H2,1-2H3
InChIKeyHTBNVGHOLHZWIY-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds7

About N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine

N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine (PubChem CID 62560572) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine
PubChem CID62560572
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine
SMILESCCCCNCCN1CCC(OC)CC1
InChIInChI=1S/C12H26N2O/c1-3-4-7-13-8-11-14-9-5-12(15-2)6-10-14/h12-13H,3-11H2,1-2H3
InChIKeyHTBNVGHOLHZWIY-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]pentan-1-amine
CID 103503529
N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103532306
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine
CID 63008881
4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62422628
N-(2-methoxyethyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103534749
4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560342
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 103540057
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine
CID 62422445
1-butyl-4-methoxypiperidine
CID 58602973
N-[2-[4-[(prop-1-en-2-ylamino)methyl]piperidin-1-yl]ethyl]pentan-1-amine
CID 174181358

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine?
The IUPAC name of N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine (CID 62560572) is N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine.
What is the SMILES notation for N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine?
The canonical SMILES for N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine is CCCCNCCN1CCC(OC)CC1.
What is the InChIKey of N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine?
The InChIKey is HTBNVGHOLHZWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-4-7-13-8-11-14-9-5-12(15-2)6-10-14/h12-13H,3-11H2,1-2H3.
What are the key properties of N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine?
N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine is sourced from PubChem (CID 62560572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).