N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine

C12H24N2O — CID 63133020

IUPACN-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCC1(CNCC2CCCO2)CCCNC1
InChIInChI=1S/C12H24N2O/c1-12(5-3-6-13-9-12)10-14-8-11-4-2-7-15-11/h11,13-14H,2-10H2,1H3
InChIKeyCKQGKNZSKRGYIF-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.14
Rot. Bonds4

About N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 63133020) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID63133020
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCC1(CNCC2CCCO2)CCCNC1
InChIInChI=1S/C12H24N2O/c1-12(5-3-6-13-9-12)10-14-8-11-4-2-7-15-11/h11,13-14H,2-10H2,1H3
InChIKeyCKQGKNZSKRGYIF-UHFFFAOYSA-N
XLogP1.14
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine
CID 106813007
N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 63142833
N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 104594958
3-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 107423630
N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 83074640
N-[(1-methylcyclopentyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 65163534
1-cyclopropyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 63142688
1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine
CID 107178329
1-[(oxan-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 65109047
N-[(1-ethylcyclopentyl)methyl]-1-(3-methylpiperidin-3-yl)methanamine
CID 114125809
N-[(3-methylpiperidin-3-yl)methyl]cyclopropanesulfonamide;hydrochloride
CID 120720826
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 120905253

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 63133020) is N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine is CC1(CNCC2CCCO2)CCCNC1.
What is the InChIKey of N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is CKQGKNZSKRGYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(5-3-6-13-9-12)10-14-8-11-4-2-7-15-11/h11,13-14H,2-10H2,1H3.
What are the key properties of N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 63133020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).