6-[(1-phenylpiperidin-4-yl)methyl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane

C20H31N3 — CID 171070135

IUPAC6-[(1-phenylpiperidin-4-yl)methyl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane
SMILESCC(C)N1CC2(CN(CC3CCN(c4ccccc4)CC3)C2)C1
InChIInChI=1S/C20H31N3/c1-17(2)23-15-20(16-23)13-21(14-20)12-18-8-10-22(11-9-18)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3
InChIKeyKRMSDAXTAPGTHF-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.93
Rot. Bonds4

About 6-[(1-phenylpiperidin-4-yl)methyl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane

6-[(1-phenylpiperidin-4-yl)methyl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane (PubChem CID 171070135) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol. Its IUPAC name is 6-[(1-phenylpiperidin-4-yl)methyl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[(1-phenylpiperidin-4-yl)methyl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane
PubChem CID171070135
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC Name6-[(1-phenylpiperidin-4-yl)methyl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane
SMILESCC(C)N1CC2(CN(CC3CCN(c4ccccc4)CC3)C2)C1
InChIInChI=1S/C20H31N3/c1-17(2)23-15-20(16-23)13-21(14-20)12-18-8-10-22(11-9-18)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3
InChIKeyKRMSDAXTAPGTHF-UHFFFAOYSA-N
XLogP2.93
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-phenylpiperidin-4-yl)methyl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 6-[(1-phenylpiperidin-4-yl)methyl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane (CID 171070135) is 6-[(1-phenylpiperidin-4-yl)methyl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 6-[(1-phenylpiperidin-4-yl)methyl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 6-[(1-phenylpiperidin-4-yl)methyl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane is CC(C)N1CC2(CN(CC3CCN(c4ccccc4)CC3)C2)C1.
What is the InChIKey of 6-[(1-phenylpiperidin-4-yl)methyl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane?
The InChIKey is KRMSDAXTAPGTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3/c1-17(2)23-15-20(16-23)13-21(14-20)12-18-8-10-22(11-9-18)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3.
What are the key properties of 6-[(1-phenylpiperidin-4-yl)methyl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane?
6-[(1-phenylpiperidin-4-yl)methyl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane has a molecular weight of 313.49 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-phenylpiperidin-4-yl)methyl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 171070135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).