[1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol

C19H30N4O2 — CID 126798700

IUPAC[1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1cc(N2CCC3(CCOCC3)CC2)ncn1
InChIInChI=1S/C19H30N4O2/c24-14-16-3-1-2-8-23(16)18-13-17(20-15-21-18)22-9-4-19(5-10-22)6-11-25-12-7-19/h13,15-16,24H,1-12,14H2
InChIKeyLNKTZLBWIKCBAX-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.22
Rot. Bonds3

About [1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol

[1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol (PubChem CID 126798700) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol
PubChem CID126798700
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1cc(N2CCC3(CCOCC3)CC2)ncn1
InChIInChI=1S/C19H30N4O2/c24-14-16-3-1-2-8-23(16)18-13-17(20-15-21-18)22-9-4-19(5-10-22)6-11-25-12-7-19/h13,15-16,24H,1-12,14H2
InChIKeyLNKTZLBWIKCBAX-UHFFFAOYSA-N
XLogP2.22
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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[1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
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[(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
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[(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
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1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,4-diazepan-5-one
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4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
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(3R)-N-cyclopropyl-1-[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 100838344
[1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
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[1-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of [1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol (CID 126798700) is [1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol is OCC1CCCCN1c1cc(N2CCC3(CCOCC3)CC2)ncn1.
What is the InChIKey of [1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol?
The InChIKey is LNKTZLBWIKCBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c24-14-16-3-1-2-8-23(16)18-13-17(20-15-21-18)22-9-4-19(5-10-22)6-11-25-12-7-19/h13,15-16,24H,1-12,14H2.
What are the key properties of [1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol?
[1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol has a molecular weight of 346.48 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 126798700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).