4-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol

C15H27NO2 — CID 113425808

IUPAC4-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol
SMILESCC1CCC(O)(CN2CC3(CCOCC3)C2)CC1
InChIInChI=1S/C15H27NO2/c1-13-2-4-15(17,5-3-13)12-16-10-14(11-16)6-8-18-9-7-14/h13,17H,2-12H2,1H3
InChIKeyNGYPZMRBCUTPOC-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.04
Rot. Bonds2

About 4-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol

4-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol (PubChem CID 113425808) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol
PubChem CID113425808
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol
SMILESCC1CCC(O)(CN2CC3(CCOCC3)C2)CC1
InChIInChI=1S/C15H27NO2/c1-13-2-4-15(17,5-3-13)12-16-10-14(11-16)6-8-18-9-7-14/h13,17H,2-12H2,1H3
InChIKeyNGYPZMRBCUTPOC-UHFFFAOYSA-N
XLogP2.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)oxolan-3-ol
CID 106103086
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol
CID 75434952
1-[(3-tert-butylazetidin-1-yl)methyl]-4-methylcyclohexan-1-ol
CID 113425809
1-[[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-4-methylcyclohexan-1-ol
CID 97216802
1-[(4-methylpiperidin-1-yl)methyl]cyclobutan-1-ol
CID 115692712
4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol
CID 127681814
4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 111462447
4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol
CID 84734865
[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391366
4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol
CID 106131726
8-methyl-2-oxaspiro[4.5]decane
CID 118029245
1-[(4-hydroxyoxan-4-yl)methyl]-4-methylpiperidine-2,6-dione
CID 81131359

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol (CID 113425808) is 4-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol is CC1CCC(O)(CN2CC3(CCOCC3)C2)CC1.
What is the InChIKey of 4-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol?
The InChIKey is NGYPZMRBCUTPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-13-2-4-15(17,5-3-13)12-16-10-14(11-16)6-8-18-9-7-14/h13,17H,2-12H2,1H3.
What are the key properties of 4-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol?
4-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol has a molecular weight of 253.39 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 113425808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).