2-[3-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethanol

C23H30FN3O2 — CID 142313736

IUPAC2-[3-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethanol
SMILESCc1ccnc(N2CCOC3(CCN(Cc4cc(F)cc(CCO)c4)CC3)C2)c1
InChIInChI=1S/C23H30FN3O2/c1-18-2-6-25-22(12-18)27-9-11-29-23(17-27)4-7-26(8-5-23)16-20-13-19(3-10-28)14-21(24)15-20/h2,6,12-15,28H,3-5,7-11,16-17H2,1H3
InChIKeySRYMKIDQHSCOFO-UHFFFAOYSA-N
MW399.51 g/mol
LogP2.94
Rot. Bonds5

About 2-[3-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethanol

2-[3-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethanol (PubChem CID 142313736) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is 2-[3-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[3-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethanol
PubChem CID142313736
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC Name2-[3-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethanol
SMILESCc1ccnc(N2CCOC3(CCN(Cc4cc(F)cc(CCO)c4)CC3)C2)c1
InChIInChI=1S/C23H30FN3O2/c1-18-2-6-25-22(12-18)27-9-11-29-23(17-27)4-7-26(8-5-23)16-20-13-19(3-10-28)14-21(24)15-20/h2,6,12-15,28H,3-5,7-11,16-17H2,1H3
InChIKeySRYMKIDQHSCOFO-UHFFFAOYSA-N
XLogP2.94
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethanol with MolForge

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Related Compounds

(1Z)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 11849179
(NZ)-N-[2-methoxy-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine
CID 11849180
(1E)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 11849823
4-[5-[(5-Methyl-3-pyridinyl)methyl]-2-pyridinyl]morpholine
CID 137642735
(NE)-N-[2-methoxy-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine
CID 11849298
1-(4-Fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
CID 2810103
1-(1-{[6-(Dimethylamino)-3-pyridinyl]methyl}-4-piperidinyl)-2-phenylethanol
CID 56909726
9-[(4-Fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450933
1-(4-Fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 16676168
N-[2-(adamantan-1-yloxy)ethyl]-4-(trifluoromethyl)-N-[4-(trifluoromethyl)pyridin-2-yl]pyridin2-amine
CID 138756629
4-[5-[2-(4-Fluorophenyl)ethyl]-2-pyridinyl]morpholine
CID 166441019
1-(4-Methylphenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]ethanol
CID 49667818

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethanol?
The IUPAC name of 2-[3-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethanol (CID 142313736) is 2-[3-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethanol.
What is the SMILES notation for 2-[3-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethanol?
The canonical SMILES for 2-[3-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethanol is Cc1ccnc(N2CCOC3(CCN(Cc4cc(F)cc(CCO)c4)CC3)C2)c1.
What is the InChIKey of 2-[3-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethanol?
The InChIKey is SRYMKIDQHSCOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2/c1-18-2-6-25-22(12-18)27-9-11-29-23(17-27)4-7-26(8-5-23)16-20-13-19(3-10-28)14-21(24)15-20/h2,6,12-15,28H,3-5,7-11,16-17H2,1H3.
What are the key properties of 2-[3-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethanol?
2-[3-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethanol has a molecular weight of 399.51 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethanol is sourced from PubChem (CID 142313736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).