2-methyl-1-[4-(oxolan-2-yl)piperidin-1-yl]propan-2-amine;hydrochloride

C13H27ClN2O — CID 120848598

IUPAC2-methyl-1-[4-(oxolan-2-yl)piperidin-1-yl]propan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCC(C2CCCO2)CC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-13(2,14)10-15-7-5-11(6-8-15)12-4-3-9-16-12;/h11-12H,3-10,14H2,1-2H3;1H
InChIKeyNFKAFOUSGMUBSY-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.04
Rot. Bonds3

About 2-methyl-1-[4-(oxolan-2-yl)piperidin-1-yl]propan-2-amine;hydrochloride

2-methyl-1-[4-(oxolan-2-yl)piperidin-1-yl]propan-2-amine;hydrochloride (PubChem CID 120848598) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 2-methyl-1-[4-(oxolan-2-yl)piperidin-1-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-[4-(oxolan-2-yl)piperidin-1-yl]propan-2-amine;hydrochloride
PubChem CID120848598
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name2-methyl-1-[4-(oxolan-2-yl)piperidin-1-yl]propan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCC(C2CCCO2)CC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-13(2,14)10-15-7-5-11(6-8-15)12-4-3-9-16-12;/h11-12H,3-10,14H2,1-2H3;1H
InChIKeyNFKAFOUSGMUBSY-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(oxolan-2-yl)piperidin-1-yl]propan-2-amine;hydrochloride?
The IUPAC name of 2-methyl-1-[4-(oxolan-2-yl)piperidin-1-yl]propan-2-amine;hydrochloride (CID 120848598) is 2-methyl-1-[4-(oxolan-2-yl)piperidin-1-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for 2-methyl-1-[4-(oxolan-2-yl)piperidin-1-yl]propan-2-amine;hydrochloride?
The canonical SMILES for 2-methyl-1-[4-(oxolan-2-yl)piperidin-1-yl]propan-2-amine;hydrochloride is CC(C)(N)CN1CCC(C2CCCO2)CC1.Cl.
What is the InChIKey of 2-methyl-1-[4-(oxolan-2-yl)piperidin-1-yl]propan-2-amine;hydrochloride?
The InChIKey is NFKAFOUSGMUBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-13(2,14)10-15-7-5-11(6-8-15)12-4-3-9-16-12;/h11-12H,3-10,14H2,1-2H3;1H.
What are the key properties of 2-methyl-1-[4-(oxolan-2-yl)piperidin-1-yl]propan-2-amine;hydrochloride?
2-methyl-1-[4-(oxolan-2-yl)piperidin-1-yl]propan-2-amine;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(oxolan-2-yl)piperidin-1-yl]propan-2-amine;hydrochloride is sourced from PubChem (CID 120848598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).