6-[(1-tert-butylpiperidin-4-yl)methyl]-2-ethyl-3-methyl-2,6-diazaspiro[3.3]heptane

C18H35N3 — CID 146547663

IUPAC6-[(1-tert-butylpiperidin-4-yl)methyl]-2-ethyl-3-methyl-2,6-diazaspiro[3.3]heptane
SMILESCCN1CC2(CN(CC3CCN(C(C)(C)C)CC3)C2)C1C
InChIInChI=1S/C18H35N3/c1-6-20-14-18(15(20)2)12-19(13-18)11-16-7-9-21(10-8-16)17(3,4)5/h15-16H,6-14H2,1-5H3
InChIKeyKAGMDBVQANDPNZ-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.52
Rot. Bonds3

About 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-ethyl-3-methyl-2,6-diazaspiro[3.3]heptane

6-[(1-tert-butylpiperidin-4-yl)methyl]-2-ethyl-3-methyl-2,6-diazaspiro[3.3]heptane (PubChem CID 146547663) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-ethyl-3-methyl-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[(1-tert-butylpiperidin-4-yl)methyl]-2-ethyl-3-methyl-2,6-diazaspiro[3.3]heptane
PubChem CID146547663
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name6-[(1-tert-butylpiperidin-4-yl)methyl]-2-ethyl-3-methyl-2,6-diazaspiro[3.3]heptane
SMILESCCN1CC2(CN(CC3CCN(C(C)(C)C)CC3)C2)C1C
InChIInChI=1S/C18H35N3/c1-6-20-14-18(15(20)2)12-19(13-18)11-16-7-9-21(10-8-16)17(3,4)5/h15-16H,6-14H2,1-5H3
InChIKeyKAGMDBVQANDPNZ-UHFFFAOYSA-N
XLogP2.52
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-ethyl-3-methyl-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-ethyl-3-methyl-2,6-diazaspiro[3.3]heptane (CID 146547663) is 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-ethyl-3-methyl-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-ethyl-3-methyl-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-ethyl-3-methyl-2,6-diazaspiro[3.3]heptane is CCN1CC2(CN(CC3CCN(C(C)(C)C)CC3)C2)C1C.
What is the InChIKey of 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-ethyl-3-methyl-2,6-diazaspiro[3.3]heptane?
The InChIKey is KAGMDBVQANDPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-6-20-14-18(15(20)2)12-19(13-18)11-16-7-9-21(10-8-16)17(3,4)5/h15-16H,6-14H2,1-5H3.
What are the key properties of 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-ethyl-3-methyl-2,6-diazaspiro[3.3]heptane?
6-[(1-tert-butylpiperidin-4-yl)methyl]-2-ethyl-3-methyl-2,6-diazaspiro[3.3]heptane has a molecular weight of 293.50 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-ethyl-3-methyl-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 146547663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).