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

C19H35N3O — CID 171641852

IUPAC6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCCN1CC2(C1)CN(CC1CCC(OC3CCNCC3)CC1)C2
InChIInChI=1S/C19H35N3O/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/h16-18,20H,2-15H2,1H3
InChIKeyPYHDPDBENWVSJG-UHFFFAOYSA-N
MW321.51 g/mol
LogP1.95
Rot. Bonds5

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

6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 171641852) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is 6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane
PubChem CID171641852
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCCN1CC2(C1)CN(CC1CCC(OC3CCNCC3)CC1)C2
InChIInChI=1S/C19H35N3O/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/h16-18,20H,2-15H2,1H3
InChIKeyPYHDPDBENWVSJG-UHFFFAOYSA-N
XLogP1.95
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane (CID 171641852) is 6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane is 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?
The InChIKey is PYHDPDBENWVSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/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/h16-18,20H,2-15H2,1H3.
What are the key properties of 6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane?
6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 321.51 g/mol, XLogP of 1.95, 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 is sourced from PubChem (CID 171641852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).