(4-butoxypiperidin-1-yl)methanamine

C10H22N2O — CID 142616316

IUPAC(4-butoxypiperidin-1-yl)methanamine
SMILESCCCCOC1CCN(CN)CC1
InChIInChI=1S/C10H22N2O/c1-2-3-8-13-10-4-6-12(9-11)7-5-10/h10H,2-9,11H2,1H3
InChIKeyJORKHHISGXGZIC-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.18
Rot. Bonds5

About (4-butoxypiperidin-1-yl)methanamine

(4-butoxypiperidin-1-yl)methanamine (PubChem CID 142616316) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (4-butoxypiperidin-1-yl)methanamine.

Molecular Properties

Compound Name(4-butoxypiperidin-1-yl)methanamine
PubChem CID142616316
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(4-butoxypiperidin-1-yl)methanamine
SMILESCCCCOC1CCN(CN)CC1
InChIInChI=1S/C10H22N2O/c1-2-3-8-13-10-4-6-12(9-11)7-5-10/h10H,2-9,11H2,1H3
InChIKeyJORKHHISGXGZIC-UHFFFAOYSA-N
XLogP1.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.18
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

3-[1-(aminomethyl)piperidin-4-yl]oxy-N-ethylpropan-1-amine
CID 156802563
4-butoxy-1-methylpiperidine;ethane
CID 143443948
4-butoxy-1-(5-methylhexyl)piperidine
CID 156530555
butoxycyclobutane
CID 54057236
2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine
CID 134580010
butoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide
CID 171539171
4-butoxypiperidine-1-carboxylic acid
CID 69380286
4-butoxy-1,8-diazabicyclo[6.1.0]nonane
CID 69083810
3-pentoxy-1-pentylpyrrolidine
CID 67812349
3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine
CID 79736553
(4-methoxypiperidin-1-yl)methanamine
CID 129270206
heptoxycyclopropane
CID 54099544

Frequently Asked Questions

What is the IUPAC name of (4-butoxypiperidin-1-yl)methanamine?
The IUPAC name of (4-butoxypiperidin-1-yl)methanamine (CID 142616316) is (4-butoxypiperidin-1-yl)methanamine.
What is the SMILES notation for (4-butoxypiperidin-1-yl)methanamine?
The canonical SMILES for (4-butoxypiperidin-1-yl)methanamine is CCCCOC1CCN(CN)CC1.
What is the InChIKey of (4-butoxypiperidin-1-yl)methanamine?
The InChIKey is JORKHHISGXGZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-2-3-8-13-10-4-6-12(9-11)7-5-10/h10H,2-9,11H2,1H3.
What are the key properties of (4-butoxypiperidin-1-yl)methanamine?
(4-butoxypiperidin-1-yl)methanamine has a molecular weight of 186.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxypiperidin-1-yl)methanamine is sourced from PubChem (CID 142616316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).