[1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine

C12H24N2O — CID 43591930

IUPAC[1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CC1CCCCO1
InChIInChI=1S/C12H24N2O/c13-9-11-5-1-3-7-14(11)10-12-6-2-4-8-15-12/h11-12H,1-10,13H2
InChIKeyKWTBHKXLHOWIHL-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.37
Rot. Bonds3

About [1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine

[1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine (PubChem CID 43591930) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is [1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine
PubChem CID43591930
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name[1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CC1CCCCO1
InChIInChI=1S/C12H24N2O/c13-9-11-5-1-3-7-14(11)10-12-6-2-4-8-15-12/h11-12H,1-10,13H2
InChIKeyKWTBHKXLHOWIHL-UHFFFAOYSA-N
XLogP1.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338640
[1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62014346
1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine
CID 56824355
[(2S)-1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 112734020
1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid
CID 43441213
2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine
CID 63388857
1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79545987
[1-(oxolan-2-ylmethylsulfonyl)azepan-2-yl]methanamine
CID 116640178
4-(oxan-2-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 71940074
1-[2-(aminomethyl)piperidin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride
CID 119468814
[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-2-yl]methanamine;hydrochloride
CID 130701604
2-[1-(oxolan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-ol
CID 114340035

Frequently Asked Questions

What is the IUPAC name of [1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine?
The IUPAC name of [1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine (CID 43591930) is [1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine is NCC1CCCCN1CC1CCCCO1.
What is the InChIKey of [1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine?
The InChIKey is KWTBHKXLHOWIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c13-9-11-5-1-3-7-14(11)10-12-6-2-4-8-15-12/h11-12H,1-10,13H2.
What are the key properties of [1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine?
[1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 43591930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).