N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine

C20H31N3O2 — CID 154753113

IUPACN-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESc1cc(N2CCC(CCNC3CCC4(CC3)OCCO4)CC2)ccn1
InChIInChI=1S/C20H31N3O2/c1-8-20(24-15-16-25-20)9-2-18(1)22-12-3-17-6-13-23(14-7-17)19-4-10-21-11-5-19/h4-5,10-11,17-18,22H,1-3,6-9,12-16H2
InChIKeyGTVIKCDWELILTD-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.96
Rot. Bonds5

About N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 154753113) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID154753113
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESc1cc(N2CCC(CCNC3CCC4(CC3)OCCO4)CC2)ccn1
InChIInChI=1S/C20H31N3O2/c1-8-20(24-15-16-25-20)9-2-18(1)22-12-3-17-6-13-23(14-7-17)19-4-10-21-11-5-19/h4-5,10-11,17-18,22H,1-3,6-9,12-16H2
InChIKeyGTVIKCDWELILTD-UHFFFAOYSA-N
XLogP2.96
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 154753113) is N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is c1cc(N2CCC(CCNC3CCC4(CC3)OCCO4)CC2)ccn1.
What is the InChIKey of N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is GTVIKCDWELILTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-8-20(24-15-16-25-20)9-2-18(1)22-12-3-17-6-13-23(14-7-17)19-4-10-21-11-5-19/h4-5,10-11,17-18,22H,1-3,6-9,12-16H2.
What are the key properties of N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 345.49 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 154753113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).