[4-(propoxymethyl)piperidin-1-yl]methanamine

C10H22N2O — CID 155739261

IUPAC[4-(propoxymethyl)piperidin-1-yl]methanamine
SMILESCCCOCC1CCN(CN)CC1
InChIInChI=1S/C10H22N2O/c1-2-7-13-8-10-3-5-12(9-11)6-4-10/h10H,2-9,11H2,1H3
InChIKeyCQGLYMYENBPWMQ-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.04
Rot. Bonds5

About [4-(propoxymethyl)piperidin-1-yl]methanamine

[4-(propoxymethyl)piperidin-1-yl]methanamine (PubChem CID 155739261) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is [4-(propoxymethyl)piperidin-1-yl]methanamine.

Molecular Properties

Compound Name[4-(propoxymethyl)piperidin-1-yl]methanamine
PubChem CID155739261
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name[4-(propoxymethyl)piperidin-1-yl]methanamine
SMILESCCCOCC1CCN(CN)CC1
InChIInChI=1S/C10H22N2O/c1-2-7-13-8-10-3-5-12(9-11)6-4-10/h10H,2-9,11H2,1H3
InChIKeyCQGLYMYENBPWMQ-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
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

2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine
CID 106453449
1-[1-(aminomethyl)piperidin-4-yl]-N-methylmethanamine
CID 146320414
ethane;3-[(1-ethylpiperidin-4-yl)methoxy]propylazanide;tungsten
CID 157048732
1-methyl-3-(propoxymethyl)piperidine
CID 148501632
(4-butoxypiperidin-1-yl)methanamine
CID 142616316
1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine
CID 176983279
(3-ethylpyrrolidin-1-yl)methanamine
CID 57317446
4-(butoxymethyl)-1-propan-2-ylpiperidine
CID 176984206
1-tert-butyl-4-(propoxymethyl)cyclohexane
CID 123879398
2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine
CID 129322519
1-(5-propoxypentyl)piperidin-4-amine
CID 18002201
2-methyl-5-[[3-(propoxymethyl)pyrrolidin-1-yl]methyl]pyrazine
CID 131937525

Frequently Asked Questions

What is the IUPAC name of [4-(propoxymethyl)piperidin-1-yl]methanamine?
The IUPAC name of [4-(propoxymethyl)piperidin-1-yl]methanamine (CID 155739261) is [4-(propoxymethyl)piperidin-1-yl]methanamine.
What is the SMILES notation for [4-(propoxymethyl)piperidin-1-yl]methanamine?
The canonical SMILES for [4-(propoxymethyl)piperidin-1-yl]methanamine is CCCOCC1CCN(CN)CC1.
What is the InChIKey of [4-(propoxymethyl)piperidin-1-yl]methanamine?
The InChIKey is CQGLYMYENBPWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-2-7-13-8-10-3-5-12(9-11)6-4-10/h10H,2-9,11H2,1H3.
What are the key properties of [4-(propoxymethyl)piperidin-1-yl]methanamine?
[4-(propoxymethyl)piperidin-1-yl]methanamine has a molecular weight of 186.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propoxymethyl)piperidin-1-yl]methanamine is sourced from PubChem (CID 155739261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).