[2-cyclobutyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol

C19H29N3O — CID 91921889

IUPAC[2-cyclobutyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(C2CCC2)CC12CCN(Cc1cccnc1)CC2
InChIInChI=1S/C19H29N3O/c23-14-17-13-22(18-4-1-5-18)15-19(17)6-9-21(10-7-19)12-16-3-2-8-20-11-16/h2-3,8,11,17-18,23H,1,4-7,9-10,12-15H2
InChIKeyPXEHMTPIWKOYIQ-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.14
Rot. Bonds4

About [2-cyclobutyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol

[2-cyclobutyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91921889) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is [2-cyclobutyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[2-cyclobutyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91921889
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name[2-cyclobutyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(C2CCC2)CC12CCN(Cc1cccnc1)CC2
InChIInChI=1S/C19H29N3O/c23-14-17-13-22(18-4-1-5-18)15-19(17)6-9-21(10-7-19)12-16-3-2-8-20-11-16/h2-3,8,11,17-18,23H,1,4-7,9-10,12-15H2
InChIKeyPXEHMTPIWKOYIQ-UHFFFAOYSA-N
XLogP2.14
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2-cyclobutyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [2-cyclobutyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91921889) is [2-cyclobutyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [2-cyclobutyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [2-cyclobutyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol is OCC1CN(C2CCC2)CC12CCN(Cc1cccnc1)CC2.
What is the InChIKey of [2-cyclobutyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is PXEHMTPIWKOYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c23-14-17-13-22(18-4-1-5-18)15-19(17)6-9-21(10-7-19)12-16-3-2-8-20-11-16/h2-3,8,11,17-18,23H,1,4-7,9-10,12-15H2.
What are the key properties of [2-cyclobutyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[2-cyclobutyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 315.46 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclobutyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91921889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).