N,4-dimethyl-1-(oxolan-2-yl)-4-piperidin-1-ylpentan-3-amine

C16H32N2O — CID 79044872

IUPACN,4-dimethyl-1-(oxolan-2-yl)-4-piperidin-1-ylpentan-3-amine
SMILESCNC(CCC1CCCO1)C(C)(C)N1CCCCC1
InChIInChI=1S/C16H32N2O/c1-16(2,18-11-5-4-6-12-18)15(17-3)10-9-14-8-7-13-19-14/h14-15,17H,4-13H2,1-3H3
InChIKeySGSRNKDFHPBPMT-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds6

About N,4-dimethyl-1-(oxolan-2-yl)-4-piperidin-1-ylpentan-3-amine

N,4-dimethyl-1-(oxolan-2-yl)-4-piperidin-1-ylpentan-3-amine (PubChem CID 79044872) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N,4-dimethyl-1-(oxolan-2-yl)-4-piperidin-1-ylpentan-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(oxolan-2-yl)-4-piperidin-1-ylpentan-3-amine
PubChem CID79044872
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN,4-dimethyl-1-(oxolan-2-yl)-4-piperidin-1-ylpentan-3-amine
SMILESCNC(CCC1CCCO1)C(C)(C)N1CCCCC1
InChIInChI=1S/C16H32N2O/c1-16(2,18-11-5-4-6-12-18)15(17-3)10-9-14-8-7-13-19-14/h14-15,17H,4-13H2,1-3H3
InChIKeySGSRNKDFHPBPMT-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(oxolan-2-yl)-4-piperidin-1-ylpentan-3-amine?
The IUPAC name of N,4-dimethyl-1-(oxolan-2-yl)-4-piperidin-1-ylpentan-3-amine (CID 79044872) is N,4-dimethyl-1-(oxolan-2-yl)-4-piperidin-1-ylpentan-3-amine.
What is the SMILES notation for N,4-dimethyl-1-(oxolan-2-yl)-4-piperidin-1-ylpentan-3-amine?
The canonical SMILES for N,4-dimethyl-1-(oxolan-2-yl)-4-piperidin-1-ylpentan-3-amine is CNC(CCC1CCCO1)C(C)(C)N1CCCCC1.
What is the InChIKey of N,4-dimethyl-1-(oxolan-2-yl)-4-piperidin-1-ylpentan-3-amine?
The InChIKey is SGSRNKDFHPBPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-16(2,18-11-5-4-6-12-18)15(17-3)10-9-14-8-7-13-19-14/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N,4-dimethyl-1-(oxolan-2-yl)-4-piperidin-1-ylpentan-3-amine?
N,4-dimethyl-1-(oxolan-2-yl)-4-piperidin-1-ylpentan-3-amine has a molecular weight of 268.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(oxolan-2-yl)-4-piperidin-1-ylpentan-3-amine is sourced from PubChem (CID 79044872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).