1-(oxan-3-ylmethyl)piperidin-3-amine

C11H22N2O — CID 63741135

IUPAC1-(oxan-3-ylmethyl)piperidin-3-amine
SMILESNC1CCCN(CC2CCCOC2)C1
InChIInChI=1S/C11H22N2O/c12-11-4-1-5-13(8-11)7-10-3-2-6-14-9-10/h10-11H,1-9,12H2
InChIKeyBLQWWQLQTGAZSU-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.84
Rot. Bonds2

About 1-(oxan-3-ylmethyl)piperidin-3-amine

1-(oxan-3-ylmethyl)piperidin-3-amine (PubChem CID 63741135) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(oxan-3-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(oxan-3-ylmethyl)piperidin-3-amine
PubChem CID63741135
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(oxan-3-ylmethyl)piperidin-3-amine
SMILESNC1CCCN(CC2CCCOC2)C1
InChIInChI=1S/C11H22N2O/c12-11-4-1-5-13(8-11)7-10-3-2-6-14-9-10/h10-11H,1-9,12H2
InChIKeyBLQWWQLQTGAZSU-UHFFFAOYSA-N
XLogP0.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-3-ylmethyl)pyrrolidine
CID 91805344
3-methyl-1-(oxolan-3-ylmethyl)piperidine
CID 77147821
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
N-methyl-1-[1-(oxolan-3-ylmethyl)piperidin-3-yl]methanamine
CID 61204128
3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine
CID 64952742
1-(2-morpholin-4-ylethyl)piperidin-3-amine
CID 54593784
1-(1,3-dioxan-4-ylmethyl)piperidin-3-amine
CID 61295949
2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid
CID 62690444
1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde
CID 62655300
3-(2-methylpropyl)-1-(oxan-3-ylmethyl)-1,4-diazepane
CID 64950927
(3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride
CID 120845899
oxan-3-amine
CID 5200320

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-ylmethyl)piperidin-3-amine?
The IUPAC name of 1-(oxan-3-ylmethyl)piperidin-3-amine (CID 63741135) is 1-(oxan-3-ylmethyl)piperidin-3-amine.
What is the SMILES notation for 1-(oxan-3-ylmethyl)piperidin-3-amine?
The canonical SMILES for 1-(oxan-3-ylmethyl)piperidin-3-amine is NC1CCCN(CC2CCCOC2)C1.
What is the InChIKey of 1-(oxan-3-ylmethyl)piperidin-3-amine?
The InChIKey is BLQWWQLQTGAZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c12-11-4-1-5-13(8-11)7-10-3-2-6-14-9-10/h10-11H,1-9,12H2.
What are the key properties of 1-(oxan-3-ylmethyl)piperidin-3-amine?
1-(oxan-3-ylmethyl)piperidin-3-amine has a molecular weight of 198.31 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 63741135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).