[8-(1-ethylpiperidin-4-yl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol

C20H33N5O — CID 91921930

IUPAC[8-(1-ethylpiperidin-4-yl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCCN1CCC(N2CCC3(CC2)CN(c2ccncn2)CC3CO)CC1
InChIInChI=1S/C20H33N5O/c1-2-23-9-4-18(5-10-23)24-11-6-20(7-12-24)15-25(13-17(20)14-26)19-3-8-21-16-22-19/h3,8,16-18,26H,2,4-7,9-15H2,1H3
InChIKeyKLKDGUICQSBAQI-UHFFFAOYSA-N
MW359.52 g/mol
LogP1.47
Rot. Bonds4

About [8-(1-ethylpiperidin-4-yl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol

[8-(1-ethylpiperidin-4-yl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91921930) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is [8-(1-ethylpiperidin-4-yl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[8-(1-ethylpiperidin-4-yl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91921930
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name[8-(1-ethylpiperidin-4-yl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCCN1CCC(N2CCC3(CC2)CN(c2ccncn2)CC3CO)CC1
InChIInChI=1S/C20H33N5O/c1-2-23-9-4-18(5-10-23)24-11-6-20(7-12-24)15-25(13-17(20)14-26)19-3-8-21-16-22-19/h3,8,16-18,26H,2,4-7,9-15H2,1H3
InChIKeyKLKDGUICQSBAQI-UHFFFAOYSA-N
XLogP1.47
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(Pyrimidin-2-YL)-2,8-diazaspiro[4.5]decan-4-YL]methanol
CID 90488145
[(3R*,4R*)-1-[2-(methylthio)pyrimidin-4-yl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70782339
[1-[6-[4-[2-(Dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144597
[(3R*,4R*)-1-(2-amino-4-pyrimidinyl)-4-(1-piperidinylmethyl)-3-pyrrolidinyl]methanol
CID 72890329
2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
CID 75423984
8-(Oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97370003
9-(Oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 118745309
9-(Oxolan-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane
CID 118746894
[2-(2-pyrimidinyl)-8-tetrahydro-2H-thiopyran-4-yl-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91910471
[2-(Pyrimidin-4-YL)-2,8-diazaspiro[4.5]decan-4-YL]methanol
CID 91910433
[8-(Cyclohexylmethyl)-2-(4-pyrimidinyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91910444
[2-(4-pyrimidinyl)-8-tetrahydro-2H-thiopyran-4-yl-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91910449

Frequently Asked Questions

What is the IUPAC name of [8-(1-ethylpiperidin-4-yl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [8-(1-ethylpiperidin-4-yl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91921930) is [8-(1-ethylpiperidin-4-yl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [8-(1-ethylpiperidin-4-yl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [8-(1-ethylpiperidin-4-yl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is CCN1CCC(N2CCC3(CC2)CN(c2ccncn2)CC3CO)CC1.
What is the InChIKey of [8-(1-ethylpiperidin-4-yl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is KLKDGUICQSBAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-2-23-9-4-18(5-10-23)24-11-6-20(7-12-24)15-25(13-17(20)14-26)19-3-8-21-16-22-19/h3,8,16-18,26H,2,4-7,9-15H2,1H3.
What are the key properties of [8-(1-ethylpiperidin-4-yl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[8-(1-ethylpiperidin-4-yl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 359.52 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(1-ethylpiperidin-4-yl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91921930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).