6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene

C22H41N3O — CID 171641851

IUPAC6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene
SMILESC=CC.CCN1CC2(C1)CN(CC1CCC(OC3CCNCC3)CC1)C2
InChIInChI=1S/C19H35N3O.C3H6/c1-2-21-12-19(13-21)14-22(15-19)11-16-3-5-17(6-4-16)23-18-7-9-20-10-8-18;1-3-2/h16-18,20H,2-15H2,1H3;3H,1H2,2H3
InChIKeyJVRUMFYBFMMXIQ-UHFFFAOYSA-N
MW363.59 g/mol
LogP3.14
Rot. Bonds5

About 6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene

6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene (PubChem CID 171641851) has the molecular formula C22H41N3O and a molecular weight of 363.59 g/mol. Its IUPAC name is 6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene.

Molecular Properties

Compound Name6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene
PubChem CID171641851
Molecular FormulaC22H41N3O
Molecular Weight363.59 g/mol
Exact Mass363.32
IUPAC Name6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene
SMILESC=CC.CCN1CC2(C1)CN(CC1CCC(OC3CCNCC3)CC1)C2
InChIInChI=1S/C19H35N3O.C3H6/c1-2-21-12-19(13-21)14-22(15-19)11-16-3-5-17(6-4-16)23-18-7-9-20-10-8-18;1-3-2/h16-18,20H,2-15H2,1H3;3H,1H2,2H3
InChIKeyJVRUMFYBFMMXIQ-UHFFFAOYSA-N
XLogP3.14
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.59
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethane;6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane
CID 171641788
6-Ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane
CID 171641789
6-Ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane
CID 171641852

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene?
The IUPAC name of 6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene (CID 171641851) is 6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene.
What is the SMILES notation for 6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene?
The canonical SMILES for 6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene is C=CC.CCN1CC2(C1)CN(CC1CCC(OC3CCNCC3)CC1)C2.
What is the InChIKey of 6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene?
The InChIKey is JVRUMFYBFMMXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O.C3H6/c1-2-21-12-19(13-21)14-22(15-19)11-16-3-5-17(6-4-16)23-18-7-9-20-10-8-18;1-3-2/h16-18,20H,2-15H2,1H3;3H,1H2,2H3.
What are the key properties of 6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene?
6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene has a molecular weight of 363.59 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene is sourced from PubChem (CID 171641851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).