N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)piperidin-3-amine

C20H30N2O3 — CID 102561502

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)piperidin-3-amine
SMILESCOc1ccccc1N1CCCC(NC2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C20H30N2O3/c1-23-19-7-3-2-6-18(19)22-12-4-5-17(15-22)21-16-8-10-20(11-9-16)24-13-14-25-20/h2-3,6-7,16-17,21H,4-5,8-15H2,1H3
InChIKeyPSEQJESGHKWHQE-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.94
Rot. Bonds4

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)piperidin-3-amine

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)piperidin-3-amine (PubChem CID 102561502) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)piperidin-3-amine
PubChem CID102561502
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)piperidin-3-amine
SMILESCOc1ccccc1N1CCCC(NC2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C20H30N2O3/c1-23-19-7-3-2-6-18(19)22-12-4-5-17(15-22)21-16-8-10-20(11-9-16)24-13-14-25-20/h2-3,6-7,16-17,21H,4-5,8-15H2,1H3
InChIKeyPSEQJESGHKWHQE-UHFFFAOYSA-N
XLogP2.94
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methoxyphenyl)piperazine
CID 1346
N-(2-Methoxyphenyl)piperazine hydrochloride
CID 9899402
1-(2-Ethoxyphenyl)piperazine
CID 83357
1-[2-(Propan-2-yloxy)phenyl]piperazine
CID 10944016
Acetamide, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55421
1-(2-Methoxyphenyl)-4-pentylpiperazine
CID 10422832
1-(2-Phenoxyphenyl)piperazine
CID 12996705
1-(2-Butoxyphenyl)piperazine
CID 14479837
N-(2-Methoxyphenyl)-2-morpholinoacetamide
CID 684240
1-(2-(4-Fluorophenoxy)phenyl)piperazine
CID 45483431
1-(2-(3-Fluorophenoxy)phenyl)piperazine
CID 45483432
N-(2-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 2234469

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)piperidin-3-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)piperidin-3-amine (CID 102561502) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)piperidin-3-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)piperidin-3-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)piperidin-3-amine is COc1ccccc1N1CCCC(NC2CCC3(CC2)OCCO3)C1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)piperidin-3-amine?
The InChIKey is PSEQJESGHKWHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-23-19-7-3-2-6-18(19)22-12-4-5-17(15-22)21-16-8-10-20(11-9-16)24-13-14-25-20/h2-3,6-7,16-17,21H,4-5,8-15H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)piperidin-3-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)piperidin-3-amine has a molecular weight of 346.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)piperidin-3-amine is sourced from PubChem (CID 102561502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).