N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine

C13H26N2O — CID 86323616

IUPACN-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine
SMILESCN(CC1CCOCC1)C[C@H]1CCCCN1
InChIInChI=1S/C13H26N2O/c1-15(10-12-5-8-16-9-6-12)11-13-4-2-3-7-14-13/h12-14H,2-11H2,1H3/t13-/m1/s1
InChIKeyMHPNEVVMWGFWMF-CYBMUJFWSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds4

About N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine

N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine (PubChem CID 86323616) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine
PubChem CID86323616
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine
SMILESCN(CC1CCOCC1)C[C@H]1CCCCN1
InChIInChI=1S/C13H26N2O/c1-15(10-12-5-8-16-9-6-12)11-13-4-2-3-7-14-13/h12-14H,2-11H2,1H3/t13-/m1/s1
InChIKeyMHPNEVVMWGFWMF-CYBMUJFWSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 114240374
1-cyclopentyl-N-methyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 63631590
1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine
CID 114240339
N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 104870155
2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
CID 126845727
3-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]cyclobutan-1-ol
CID 106639630
N,N-dimethyl-1-piperidin-2-ylmethanamine;dihydrochloride
CID 45075192
2-(oxan-4-ylmethoxymethyl)piperidine
CID 62383000
N-methyl-N-(2-piperidin-2-ylethyl)oxan-4-amine
CID 43611270
N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 64570764
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-piperidin-2-ylmethanamine
CID 79314836
N-methyl-N-(piperidin-2-ylmethyl)morpholine-4-sulfonamide
CID 106630410

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine?
The IUPAC name of N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine (CID 86323616) is N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine?
The canonical SMILES for N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine is CN(CC1CCOCC1)C[C@H]1CCCCN1.
What is the InChIKey of N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine?
The InChIKey is MHPNEVVMWGFWMF-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(10-12-5-8-16-9-6-12)11-13-4-2-3-7-14-13/h12-14H,2-11H2,1H3/t13-/m1/s1.
What are the key properties of N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine?
N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine is sourced from PubChem (CID 86323616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).